
Organooxygen compounds
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4-Keto-4,5,6,7-tetrahydrothianaphthene, 97%
CAS: 13414-95-4 Molecular Formula: C8H8OS Molecular Weight (g/mol): 152.21 MDL Number: MFCD00005861 InChI Key: GJEKNELSXNSYAQ-UHFFFAOYSA-N Synonym: 6,7-dihydro-4-benzo b thiophenone,6,7-dihydro-5h-benzo b thiophen-4-one,6,7-dihydrobenzo b thiophen-4 5h-one,4-keto-4,5,6,7-tetrahydrothianaphthene,6,7-dihydrobenzo b thiophen-4-one,benzo b thiophen-4 5h-one, 6,7-dihydro,6,7-dihydro-1-benzothiophen-4 5h-one,4,5,6,7-tetrahydrothionaphthen-4-one,4-oxo-4,5,6,7-tetrahydrothianaphthene,4,5,6,7-tetrahydro-4-benzothiophenone PubChem CID: 83418 IUPAC Name: 6,7-dihydro-5H-1-benzothiophen-4-one SMILES: C1CC2=C(C=CS2)C(=O)C1
PubChem CID | 83418 |
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CAS | 13414-95-4 |
Molecular Weight (g/mol) | 152.21 |
MDL Number | MFCD00005861 |
SMILES | C1CC2=C(C=CS2)C(=O)C1 |
Synonym | 6,7-dihydro-4-benzo b thiophenone,6,7-dihydro-5h-benzo b thiophen-4-one,6,7-dihydrobenzo b thiophen-4 5h-one,4-keto-4,5,6,7-tetrahydrothianaphthene,6,7-dihydrobenzo b thiophen-4-one,benzo b thiophen-4 5h-one, 6,7-dihydro,6,7-dihydro-1-benzothiophen-4 5h-one,4,5,6,7-tetrahydrothionaphthen-4-one,4-oxo-4,5,6,7-tetrahydrothianaphthene,4,5,6,7-tetrahydro-4-benzothiophenone |
IUPAC Name | 6,7-dihydro-5H-1-benzothiophen-4-one |
InChI Key | GJEKNELSXNSYAQ-UHFFFAOYSA-N |
Molecular Formula | C8H8OS |
2-(2-Aminoethoxy)ethanol, 98%
CAS: 929-06-6 Molecular Formula: C4H11NO2 Molecular Weight (g/mol): 105.137 MDL Number: MFCD00008181 InChI Key: GIAFURWZWWWBQT-UHFFFAOYSA-N Synonym: 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine PubChem CID: 13578 IUPAC Name: 2-(2-aminoethoxy)ethanol SMILES: C(COCCO)N
PubChem CID | 13578 |
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CAS | 929-06-6 |
Molecular Weight (g/mol) | 105.137 |
MDL Number | MFCD00008181 |
SMILES | C(COCCO)N |
Synonym | 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine |
IUPAC Name | 2-(2-aminoethoxy)ethanol |
InChI Key | GIAFURWZWWWBQT-UHFFFAOYSA-N |
Molecular Formula | C4H11NO2 |
(R)-(+)-1-Phenylethanol, 99%, ee 97+%
CAS: 1517-69-7 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00064263 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYNA-N Synonym: r-1-phenylethanol,r-+-1-phenylethanol,1r-1-phenylethanol,r-alpha-methylbenzyl alcohol,r-+-sec-phenethyl alcohol,1r-1-phenylethan-1-ol,r-+-1-phenylethyl alcohol,1-phenylethanol, r,benzenemethanol, alpha-methyl-, r PubChem CID: 637516 ChEBI: CHEBI:45616 SMILES: CC(O)C1=CC=CC=C1
PubChem CID | 637516 |
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CAS | 1517-69-7 |
Molecular Weight (g/mol) | 122.17 |
ChEBI | CHEBI:45616 |
MDL Number | MFCD00064263 |
SMILES | CC(O)C1=CC=CC=C1 |
Synonym | r-1-phenylethanol,r-+-1-phenylethanol,1r-1-phenylethanol,r-alpha-methylbenzyl alcohol,r-+-sec-phenethyl alcohol,1r-1-phenylethan-1-ol,r-+-1-phenylethyl alcohol,1-phenylethanol, r,benzenemethanol, alpha-methyl-, r |
InChI Key | WAPNOHKVXSQRPX-UHFFFAOYNA-N |
Molecular Formula | C8H10O |
Isoquinoline-5-carboxaldehyde, 97%
CAS: 80278-67-7 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD03412483 InChI Key: ILRSABOCKMOFGW-UHFFFAOYSA-N Synonym: 5-isoquinolinecarboxaldehyde,isoquinoline-5-carboxaldehyde,5-formylisoquinoline,ksc447q7n,5-isoquinolinecarbaldehyde,5-isoquinolinecarboxaldehyde 6ci,9ci PubChem CID: 7016853 IUPAC Name: isoquinoline-5-carbaldehyde SMILES: C1=CC2=C(C=CN=C2)C(=C1)C=O
PubChem CID | 7016853 |
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CAS | 80278-67-7 |
Molecular Weight (g/mol) | 157.172 |
MDL Number | MFCD03412483 |
SMILES | C1=CC2=C(C=CN=C2)C(=C1)C=O |
Synonym | 5-isoquinolinecarboxaldehyde,isoquinoline-5-carboxaldehyde,5-formylisoquinoline,ksc447q7n,5-isoquinolinecarbaldehyde,5-isoquinolinecarboxaldehyde 6ci,9ci |
IUPAC Name | isoquinoline-5-carbaldehyde |
InChI Key | ILRSABOCKMOFGW-UHFFFAOYSA-N |
Molecular Formula | C10H7NO |
4'-Fluoro-3'-methoxyacetophenone, 98%
CAS: 64287-19-0 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00272135 InChI Key: PFEGFUCYOHBDJF-UHFFFAOYSA-N Synonym: 1-4-fluoro-3-methoxyphenyl ethanone,4'-fluoro-3'-methoxyacetophenone,4-fluoro-3-methoxyacetophenone,ethanone, 1-4-fluoro-3-methoxyphenyl,1-4-fluoro-3-methoxyphenyl ethan-1-one,1-4-fluoro-3-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-3-methoxybenzene,pubchem4234,ksc621a4h,attercop-chm at126609 PubChem CID: 2774532 IUPAC Name: 1-(4-fluoro-3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)OC
PubChem CID | 2774532 |
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CAS | 64287-19-0 |
Molecular Weight (g/mol) | 168.167 |
MDL Number | MFCD00272135 |
SMILES | CC(=O)C1=CC(=C(C=C1)F)OC |
Synonym | 1-4-fluoro-3-methoxyphenyl ethanone,4'-fluoro-3'-methoxyacetophenone,4-fluoro-3-methoxyacetophenone,ethanone, 1-4-fluoro-3-methoxyphenyl,1-4-fluoro-3-methoxyphenyl ethan-1-one,1-4-fluoro-3-methoxy-phenyl-ethanone,1-acetyl-4-fluoro-3-methoxybenzene,pubchem4234,ksc621a4h,attercop-chm at126609 |
IUPAC Name | 1-(4-fluoro-3-methoxyphenyl)ethanone |
InChI Key | PFEGFUCYOHBDJF-UHFFFAOYSA-N |
Molecular Formula | C9H9FO2 |
2-Methoxypyridine-5-boronic acid, 95%
CAS: 163105-89-3 Molecular Formula: C6H8BNO3 Molecular Weight (g/mol): 152.94 MDL Number: MFCD02093044 InChI Key: DHADXDMPEUWEAS-UHFFFAOYSA-N Synonym: 2-methoxy-5-pyridineboronic acid,6-methoxypyridin-3-yl boronic acid,2-methoxypyridine-5-boronic acid,2-methoxy-5-pyridinylboronic acid,6-methoxypyridine-3-boronic acid,6-methoxypyridin-3-yl-3-boronic acid,6-methoxy-pyridine-3-boronic acid,6-methoxy-3-pyridinylboronic acid,6-methoxy-3-pyridylboronic acid,6-methoxypyridin-3-yl boranediol PubChem CID: 2734368 IUPAC Name: (6-methoxypyridin-3-yl)boronic acid SMILES: COC1=CC=C(C=N1)B(O)O
PubChem CID | 2734368 |
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CAS | 163105-89-3 |
Molecular Weight (g/mol) | 152.94 |
MDL Number | MFCD02093044 |
SMILES | COC1=CC=C(C=N1)B(O)O |
Synonym | 2-methoxy-5-pyridineboronic acid,6-methoxypyridin-3-yl boronic acid,2-methoxypyridine-5-boronic acid,2-methoxy-5-pyridinylboronic acid,6-methoxypyridine-3-boronic acid,6-methoxypyridin-3-yl-3-boronic acid,6-methoxy-pyridine-3-boronic acid,6-methoxy-3-pyridinylboronic acid,6-methoxy-3-pyridylboronic acid,6-methoxypyridin-3-yl boranediol |
IUPAC Name | (6-methoxypyridin-3-yl)boronic acid |
InChI Key | DHADXDMPEUWEAS-UHFFFAOYSA-N |
Molecular Formula | C6H8BNO3 |
2-Chloro-4-methoxypyridine, 99%, Thermo Scientific™
CAS: 17228-69-2 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD02093951 InChI Key: PMTPFBWHUOWTNN-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine PubChem CID: 1991128 IUPAC Name: 2-chloro-4-methoxypyridine SMILES: COC1=CC(=NC=C1)Cl
PubChem CID | 1991128 |
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CAS | 17228-69-2 |
Molecular Weight (g/mol) | 143.57 |
MDL Number | MFCD02093951 |
SMILES | COC1=CC(=NC=C1)Cl |
Synonym | 2-chloro-4-methoxy-pyridine,pyridine, 2-chloro-4-methoxy,zlchem 749,pubchem6204,4-methoxy-2-chloropyridine,2-chloro-4-methoxylpyridine,2-chloro-4-methoxy pyridine,ksc494i4l,2-chloro-4-methoxypyridine |
IUPAC Name | 2-chloro-4-methoxypyridine |
InChI Key | PMTPFBWHUOWTNN-UHFFFAOYSA-N |
Molecular Formula | C6H6ClNO |
4-Benzyloxypyridine N-oxide, 98%
CAS: 2683-66-1 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.23 MDL Number: MFCD00047427 InChI Key: SUSQPKJQYWTFPU-UHFFFAOYSA-N Synonym: 4-benzyloxy pyridine n-oxide,4-benzyloxy pyridine 1-oxide,4-benzyloxypyridine n-oxide,4-benzyloxypyridine 1-oxide,4-benzyloxypyridine-n-oxide,4-benzyloxy pyridin-1-ium-1-olate,pyridine, 4-phenylmethoxy-, 1-oxide,4-phenylmethoxy pyridin-1-ol,pubchem2123 PubChem CID: 295871 SMILES: [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1
PubChem CID | 295871 |
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CAS | 2683-66-1 |
Molecular Weight (g/mol) | 201.23 |
MDL Number | MFCD00047427 |
SMILES | [O-][N+]1=CC=C(OCC2=CC=CC=C2)C=C1 |
Synonym | 4-benzyloxy pyridine n-oxide,4-benzyloxy pyridine 1-oxide,4-benzyloxypyridine n-oxide,4-benzyloxypyridine 1-oxide,4-benzyloxypyridine-n-oxide,4-benzyloxy pyridin-1-ium-1-olate,pyridine, 4-phenylmethoxy-, 1-oxide,4-phenylmethoxy pyridin-1-ol,pubchem2123 |
InChI Key | SUSQPKJQYWTFPU-UHFFFAOYSA-N |
Molecular Formula | C12H11NO2 |
4'-(Methylthio)acetophenone, 99%
CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone SMILES: CSC1=CC=C(C=C1)C(C)=O
PubChem CID | 74501 |
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CAS | 1778-09-2 |
Molecular Weight (g/mol) | 166.24 |
MDL Number | MFCD00039835 |
SMILES | CSC1=CC=C(C=C1)C(C)=O |
Synonym | 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone |
IUPAC Name | 1-(4-methylsulfanylphenyl)ethanone |
InChI Key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
Molecular Formula | C9H10OS |
5-Methoxyindole-3-carboxaldehyde, 99%
CAS: 10601-19-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005623 InChI Key: TUWARWGEOHQXCO-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde PubChem CID: 82758 IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde SMILES: COC1=CC=C2NC=C(C=O)C2=C1
PubChem CID | 82758 |
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CAS | 10601-19-1 |
Molecular Weight (g/mol) | 175.19 |
MDL Number | MFCD00005623 |
SMILES | COC1=CC=C2NC=C(C=O)C2=C1 |
Synonym | 5-methoxyindole-3-carboxaldehyde,3-formyl-5-methoxyindole,5-methoxyindole-3-carboxyaldehyde,5-methoxyindole-3-carbaldehyde,5-methoxyindole-3-aldehyde,5-methoxy-3-formylindole,1h-indole-3-carboxaldehyde, 5-methoxy,5-methoxy-indol-3-aldehyde,unii-63c50zw2d0,5-methoxy-1h-indole-3-carboxaldehyde |
IUPAC Name | 5-methoxy-1H-indole-3-carbaldehyde |
InChI Key | TUWARWGEOHQXCO-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, 98%
CAS: 86604-75-3 Molecular Formula: C9H13Cl2NO Molecular Weight (g/mol): 222.109 MDL Number: MFCD00277472 InChI Key: LCJDHJOUOJSJGS-UHFFFAOYSA-N Synonym: 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxy pyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride,2-chloromethyl-4-methoxy-3,5-dimethylpyridine hcl,pyridine, 2-chloromethyl-4-methoxy-3,5-dimethyl-, hydrochloride,2-chloromethyl-3,5-dimethyl-4-pyridinyl methyl ether hydrochloride,pubchem2236 PubChem CID: 11694258 IUPAC Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride SMILES: CC1=CN=C(C(=C1OC)C)CCl.Cl
PubChem CID | 11694258 |
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CAS | 86604-75-3 |
Molecular Weight (g/mol) | 222.109 |
MDL Number | MFCD00277472 |
SMILES | CC1=CN=C(C(=C1OC)C)CCl.Cl |
Synonym | 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4-methoxy pyridine hydrochloride,2-chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride,2-chloromethyl-4-methoxy-3,5-dimethylpyridine hcl,pyridine, 2-chloromethyl-4-methoxy-3,5-dimethyl-, hydrochloride,2-chloromethyl-3,5-dimethyl-4-pyridinyl methyl ether hydrochloride,pubchem2236 |
IUPAC Name | 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride |
InChI Key | LCJDHJOUOJSJGS-UHFFFAOYSA-N |
Molecular Formula | C9H13Cl2NO |
2-Ethoxyethanol, Reagent Grade, 99%, Honeywell™
CAS: 110-80-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00002869 InChI Key: ZNQVEEAIQZEUHB-UHFFFAOYSA-N Synonym: cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee PubChem CID: 8076 ChEBI: CHEBI:46788 SMILES: CCOCCO
PubChem CID | 8076 |
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CAS | 110-80-5 |
Molecular Weight (g/mol) | 90.12 |
ChEBI | CHEBI:46788 |
MDL Number | MFCD00002869 |
SMILES | CCOCCO |
Synonym | cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee |
InChI Key | ZNQVEEAIQZEUHB-UHFFFAOYSA-N |
Molecular Formula | C4H10O2 |
2-Methoxyethanol, puriss. p.a., ACS Reagent, ≥99.5% (GC), Honeywell Riedel-de Haën™
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
PubChem CID | 8019 |
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CAS | 109-86-4 |
Molecular Weight (g/mol) | 76.095 |
ChEBI | CHEBI:46790 |
MDL Number | MFCD00002867 |
SMILES | COCCO |
Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
IUPAC Name | 2-methoxyethanol |
InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
Molecular Formula | C3H8O2 |
6-(Diethylamino)-3-pyridinylaldehyde, 97%, Thermo Scientific™
CAS: 578726-67-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.24 MDL Number: MFCD06200894 InChI Key: PCISUIMHLSRKGR-UHFFFAOYSA-N Synonym: 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde PubChem CID: 2794806 IUPAC Name: 6-(diethylamino)pyridine-3-carbaldehyde SMILES: CCN(CC)C1=NC=C(C=O)C=C1
PubChem CID | 2794806 |
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CAS | 578726-67-7 |
Molecular Weight (g/mol) | 178.24 |
MDL Number | MFCD06200894 |
SMILES | CCN(CC)C1=NC=C(C=O)C=C1 |
Synonym | 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde |
IUPAC Name | 6-(diethylamino)pyridine-3-carbaldehyde |
InChI Key | PCISUIMHLSRKGR-UHFFFAOYSA-N |
Molecular Formula | C10H14N2O |
Cafestol from Coffee Beans, MP Biomedicals™
CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
CAS | 469-83-0 |
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Molecular Weight (g/mol) | 316.44 |
MDL Number | MFCD01075769 |
SMILES | C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 |
IUPAC Name | (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol |
InChI Key | DNJVYWXIDISQRD-HWUKTEKMSA-N |
Molecular Formula | C20H28O3 |