Organooxygen compounds
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Cyclohexyl phenyl ketone, 98%
CAS: 712-50-5 Molecular Formula: C13H16O Molecular Weight (g/mol): 188.27 MDL Number: MFCD00001467 InChI Key: BMFYCFSWWDXEPB-UHFFFAOYSA-N Synonym: cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone PubChem CID: 12837 IUPAC Name: cyclohexyl(phenyl)methanone SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
| PubChem CID | 12837 |
|---|---|
| CAS | 712-50-5 |
| Molecular Weight (g/mol) | 188.27 |
| MDL Number | MFCD00001467 |
| SMILES | C1CCC(CC1)C(=O)C2=CC=CC=C2 |
| Synonym | cyclohexyl phenyl ketone,cyclohexyl phenyl methanone,benzoylcyclohexane,cyclohexylphenylketone,benzoyl cyclohexane,phenyl cyclohexyl ketone,methanone, cyclohexylphenyl,cyclohexyl-phenyl-methanone,usaf kf-3,cyclohexylphenyl ketone |
| IUPAC Name | cyclohexyl(phenyl)methanone |
| InChI Key | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| Molecular Formula | C13H16O |
3-Acetyl-2-methyl-5-phenylthiophene, 98%, Thermo Scientific Chemicals
CAS: 40932-63-6 Molecular Formula: C13H12OS Molecular Weight (g/mol): 216.30 MDL Number: MFCD00151790 InChI Key: GREAZYFTAJMZFD-UHFFFAOYSA-N Synonym: 3-acetyl-2-methyl-5-phenylthiophene,1-2-methyl-5-phenylthiophen-3-yl ethanone,1-2-methyl-5-phenylthien-3-yl ethanone,ethanone, 1-2-methyl-5-phenyl-3-thienyl,acmc-20anao,3-acetyl-2-methyl-5-phenylthiohene,1-2-methyl-5-phenyl-3-thienyl ethanone,1-2-methyl-5-phenyl-3-thiophenyl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl-ethanone PubChem CID: 2728765 IUPAC Name: 1-(2-methyl-5-phenylthiophen-3-yl)ethanone SMILES: CC(=O)C1=C(C)SC(=C1)C1=CC=CC=C1
| PubChem CID | 2728765 |
|---|---|
| CAS | 40932-63-6 |
| Molecular Weight (g/mol) | 216.30 |
| MDL Number | MFCD00151790 |
| SMILES | CC(=O)C1=C(C)SC(=C1)C1=CC=CC=C1 |
| Synonym | 3-acetyl-2-methyl-5-phenylthiophene,1-2-methyl-5-phenylthiophen-3-yl ethanone,1-2-methyl-5-phenylthien-3-yl ethanone,ethanone, 1-2-methyl-5-phenyl-3-thienyl,acmc-20anao,3-acetyl-2-methyl-5-phenylthiohene,1-2-methyl-5-phenyl-3-thienyl ethanone,1-2-methyl-5-phenyl-3-thiophenyl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl ethanone,1-2-methyl-5-phenyl-thiophen-3-yl-ethanone |
| IUPAC Name | 1-(2-methyl-5-phenylthiophen-3-yl)ethanone |
| InChI Key | GREAZYFTAJMZFD-UHFFFAOYSA-N |
| Molecular Formula | C13H12OS |
1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
| PubChem CID | 24229756 |
|---|---|
| CAS | 937796-01-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD09879973 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br |
| Synonym | 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone |
| IUPAC Name | 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | AMADTVLVNSCDKW-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
D-myo-Inositol, MP Biomedicals™
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
4,4-Dimethylcyclohexan-1-ol, 95%, Thermo Scientific™
CAS: 932-01-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00101954 InChI Key: VUQOIZPFYIVUKD-UHFFFAOYSA-N PubChem CID: 136735 IUPAC Name: 4,4-dimethylcyclohexan-1-ol SMILES: CC1(C)CCC(O)CC1
| PubChem CID | 136735 |
|---|---|
| CAS | 932-01-4 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00101954 |
| SMILES | CC1(C)CCC(O)CC1 |
| IUPAC Name | 4,4-dimethylcyclohexan-1-ol |
| InChI Key | VUQOIZPFYIVUKD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one, 97%, Thermo Scientific™
CAS: 104777-39-1 Molecular Formula: C12H10BrNO2 Molecular Weight (g/mol): 280.12 MDL Number: MFCD00173902 InChI Key: QKOOGOQWNSWJFQ-UHFFFAOYSA-N Synonym: 4-bromoacetyl-5-methyl-3-phenylisoxazole,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethan-1-one,4-bromoacetyl-5-methyl-3-phenylisoxasole,ethanone,2-bromo-1-5-methyl-3-phenyl-4-isoxazolyl,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethan-1-one,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethanone,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethanone,acmc-1c781 PubChem CID: 2735531 IUPAC Name: 2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone SMILES: CC1=C(C(=O)CBr)C(=NO1)C1=CC=CC=C1
| PubChem CID | 2735531 |
|---|---|
| CAS | 104777-39-1 |
| Molecular Weight (g/mol) | 280.12 |
| MDL Number | MFCD00173902 |
| SMILES | CC1=C(C(=O)CBr)C(=NO1)C1=CC=CC=C1 |
| Synonym | 4-bromoacetyl-5-methyl-3-phenylisoxazole,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethan-1-one,4-bromoacetyl-5-methyl-3-phenylisoxasole,ethanone,2-bromo-1-5-methyl-3-phenyl-4-isoxazolyl,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethan-1-one,2-bromo-1-5-methyl-3-phenyl-1,2-oxazol-4-yl ethanone,2-bromo-1-5-methyl-3-phenylisoxazol-4-yl ethanone,acmc-1c781 |
| IUPAC Name | 2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone |
| InChI Key | QKOOGOQWNSWJFQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10BrNO2 |
4-Chlorobutyrophenone, 95%, Thermo Scientific™
CAS: 939-52-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00001005 InChI Key: GHEFQKHLHFXSBR-UHFFFAOYSA-N Synonym: 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone PubChem CID: 253533 IUPAC Name: 4-chloro-1-phenylbutan-1-one SMILES: ClCCCC(=O)C1=CC=CC=C1
| PubChem CID | 253533 |
|---|---|
| CAS | 939-52-6 |
| Molecular Weight (g/mol) | 182.65 |
| MDL Number | MFCD00001005 |
| SMILES | ClCCCC(=O)C1=CC=CC=C1 |
| Synonym | 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone |
| IUPAC Name | 4-chloro-1-phenylbutan-1-one |
| InChI Key | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO |
| CAS | 2040-05-3 |
|---|---|
| MDL Number | MFCD00016339 |
Ethyl 5-benzyloxyindole-2-carboxylate, 97%
CAS: 37033-95-7 Molecular Formula: C18H17NO3 Molecular Weight (g/mol): 295.338 MDL Number: MFCD00022702 InChI Key: DCIFXYFKVKDOLL-UHFFFAOYSA-N Synonym: ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester PubChem CID: 95721 IUPAC Name: ethyl 5-phenylmethoxy-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
| PubChem CID | 95721 |
|---|---|
| CAS | 37033-95-7 |
| Molecular Weight (g/mol) | 295.338 |
| MDL Number | MFCD00022702 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3 |
| Synonym | ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester |
| IUPAC Name | ethyl 5-phenylmethoxy-1H-indole-2-carboxylate |
| InChI Key | DCIFXYFKVKDOLL-UHFFFAOYSA-N |
| Molecular Formula | C18H17NO3 |
2-Acetylbenzo[b]furan, 99%
CAS: 1646-26-0 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00005849 InChI Key: YUTFQTAITWWGFH-UHFFFAOYSA-N Synonym: 2-acetylbenzofuran,1-benzofuran-2-yl ethanone,ethanone, 1-2-benzofuranyl,benzofuran-2-yl methyl ketone,2-acetylcoumarone,2-acetylcumarone,2-benzofuranyl methyl ketone,benzo b furan-2-yl methyl ketone,1-2-benzofuranyl ethanone,2-acetylbenzo b furan PubChem CID: 15435 SMILES: CC(=O)C1=CC2=CC=CC=C2O1
| PubChem CID | 15435 |
|---|---|
| CAS | 1646-26-0 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00005849 |
| SMILES | CC(=O)C1=CC2=CC=CC=C2O1 |
| Synonym | 2-acetylbenzofuran,1-benzofuran-2-yl ethanone,ethanone, 1-2-benzofuranyl,benzofuran-2-yl methyl ketone,2-acetylcoumarone,2-acetylcumarone,2-benzofuranyl methyl ketone,benzo b furan-2-yl methyl ketone,1-2-benzofuranyl ethanone,2-acetylbenzo b furan |
| InChI Key | YUTFQTAITWWGFH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
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 |
|---|---|
| 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 |
3,4-diethoxycyclobut-3-ene-1,2-dione, Thermo Scientific™
CAS: 5231-87-8 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 InChI Key: DFSFLZCLKYZYRD-UHFFFAOYSA-N Synonym: 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn PubChem CID: 123228 IUPAC Name: 3,4-diethoxycyclobut-3-ene-1,2-dione SMILES: CCOC1=C(C(=O)C1=O)OCC
| PubChem CID | 123228 |
|---|---|
| CAS | 5231-87-8 |
| Molecular Weight (g/mol) | 170.164 |
| SMILES | CCOC1=C(C(=O)C1=O)OCC |
| Synonym | 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn |
| IUPAC Name | 3,4-diethoxycyclobut-3-ene-1,2-dione |
| InChI Key | DFSFLZCLKYZYRD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
Dexamethasone 21-Phosphate Disodium Salt, MP Biomedicals™
CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 MDL Number: MFCD00079105 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L Synonym: dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron PubChem CID: 16961 ChEBI: CHEBI:4462 IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
| PubChem CID | 16961 |
|---|---|
| CAS | 2392-39-4 |
| Molecular Weight (g/mol) | 516.41 |
| ChEBI | CHEBI:4462 |
| MDL Number | MFCD00079105 |
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] |
| Synonym | dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron |
| IUPAC Name | disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate |
| InChI Key | PLCQGRYPOISRTQ-FCJDYXGNSA-L |
| Molecular Formula | C22H28FNa2O8P |
3,4-Dihydro-2H-chromen-3-ylmethanol, 97%, Thermo Scientific™
CAS: 76727-28-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD04972641 InChI Key: UPDSWAQIQZFOLF-UHFFFAOYSA-N PubChem CID: 2795460 IUPAC Name: 3,4-dihydro-2H-chromen-3-ylmethanol SMILES: C1C(COC2=CC=CC=C21)CO
| PubChem CID | 2795460 |
|---|---|
| CAS | 76727-28-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD04972641 |
| SMILES | C1C(COC2=CC=CC=C21)CO |
| IUPAC Name | 3,4-dihydro-2H-chromen-3-ylmethanol |
| InChI Key | UPDSWAQIQZFOLF-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1-Methylcyclohexanol, 96%
CAS: 590-67-0 MDL Number: MFCD00003857 InChI Key: VTBOTOBFGSVRMA-UHFFFAOYSA-N Synonym: 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol PubChem CID: 11550 IUPAC Name: 1-methylcyclohexan-1-ol SMILES: CC1(CCCCC1)O
| PubChem CID | 11550 |
|---|---|
| CAS | 590-67-0 |
| MDL Number | MFCD00003857 |
| SMILES | CC1(CCCCC1)O |
| Synonym | 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol |
| IUPAC Name | 1-methylcyclohexan-1-ol |
| InChI Key | VTBOTOBFGSVRMA-UHFFFAOYSA-N |