Organooxygen compounds
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4'-Hydroxy-3'-methoxyacetophenone, 98%
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethanone |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Chlorocyclohexanone, 95%, stabilized
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
Ethyl 2-chloroacetoacetate, 96%
CAS: 609-15-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00009141 InChI Key: RDULEYWUGKOCMR-UHFFFAOYNA-N PubChem CID: 11858 IUPAC Name: ethyl 2-chloro-3-oxobutanoate SMILES: CCOC(=O)C(Cl)C(C)=O
| PubChem CID | 11858 |
|---|---|
| CAS | 609-15-4 |
| Molecular Weight (g/mol) | 164.59 |
| MDL Number | MFCD00009141 |
| SMILES | CCOC(=O)C(Cl)C(C)=O |
| IUPAC Name | ethyl 2-chloro-3-oxobutanoate |
| InChI Key | RDULEYWUGKOCMR-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO3 |
2'-Bromo-6'-fluoroacetophenone, 96%
CAS: 928715-37-1 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 InChI Key: ZTLLHQUYOLPVAR-UHFFFAOYSA-N Synonym: 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl PubChem CID: 66570680 IUPAC Name: 1-(2-bromo-6-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Br)F
| PubChem CID | 66570680 |
|---|---|
| CAS | 928715-37-1 |
| Molecular Weight (g/mol) | 217.037 |
| SMILES | CC(=O)C1=C(C=CC=C1Br)F |
| Synonym | 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)ethanone |
| InChI Key | ZTLLHQUYOLPVAR-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3'-Benzyloxyacetophenone, 97%
CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
2'-Hydroxy-4'-methoxyacetophenone, 99%
CAS: 552-41-0 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
| PubChem CID | 11092 |
|---|---|
| CAS | 552-41-0 |
| ChEBI | CHEBI:69581 |
| MDL Number | MFCD00008730 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
| Synonym | paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
1-Benzoylacetone, 98%
CAS: 93-91-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008786 InChI Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N Synonym: benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton PubChem CID: 7166 IUPAC Name: 1-phenylbutane-1,3-dione SMILES: CC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7166 |
|---|---|
| CAS | 93-91-4 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00008786 |
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton |
| IUPAC Name | 1-phenylbutane-1,3-dione |
| InChI Key | CVBUKMMMRLOKQR-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
4,5-Diazafluoren-9-one, 98%
CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
| PubChem CID | 342157 |
|---|---|
| CAS | 50890-67-0 |
| Molecular Weight (g/mol) | 182.182 |
| MDL Number | MFCD00046892 |
| SMILES | C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1 |
| Synonym | 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one |
| InChI Key | PFMTUGNLBQSHQC-UHFFFAOYSA-N |
| Molecular Formula | C11H6N2O |
4'-Isobutylacetophenone, 97%
CAS: 38861-78-8 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C
| PubChem CID | 93214 |
|---|---|
| CAS | 38861-78-8 |
| Molecular Weight (g/mol) | 176.26 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethanone |
| InChI Key | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
3',4'-Dichloroacetophenone, 98+%
CAS: 2642-63-9 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000553 InChI Key: WBPAOUHWPONFEQ-UHFFFAOYSA-N Synonym: 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone PubChem CID: 75841 IUPAC Name: 1-(3,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 75841 |
|---|---|
| CAS | 2642-63-9 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000553 |
| SMILES | CC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone |
| IUPAC Name | 1-(3,4-dichlorophenyl)ethanone |
| InChI Key | WBPAOUHWPONFEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
5-Chloroisatin, 98%
CAS: 17630-76-1 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.58 MDL Number: MFCD00014567 InChI Key: XHDJYQWGFIBCEP-UHFFFAOYSA-N Synonym: 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607 PubChem CID: 87203 SMILES: ClC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 87203 |
|---|---|
| CAS | 17630-76-1 |
| Molecular Weight (g/mol) | 181.58 |
| MDL Number | MFCD00014567 |
| SMILES | ClC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-chloroisatin,5-chloroindoline-2,3-dione,5-chlorisatin,1h-indole-2,3-dione, 5-chloro,5-chloro-2,3-dihydro-1h-indole-2,3-dione,5-chloro isatin,5-chlor-2,3-dioxoindolin,5-chlor-1h-indol-2,3-dion,2hq,pubchem13607 |
| InChI Key | XHDJYQWGFIBCEP-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO2 |
4-Acetylbenzoic acid, 98%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
2-Bromo-2'-methoxyacetophenone, 98%
CAS: 31949-21-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000196 InChI Key: GKNCPTLOPRDYMH-UHFFFAOYSA-N Synonym: 2-bromo-1-2-methoxyphenyl ethanone,2-bromo-2'-methoxyacetophenone,2-methoxyphenacyl bromide,o-methoxy phenacylbromide,bromomethyl 2-methoxyphenyl ketone,2-bromo-1-2-methoxyphenyl ethan-1-one,2-bromo-2'-methoxy acetophenone,ethanone, 2-bromo-1-methoxyphenyl,alpha-bromo-o-methoxyacetophenone,2-bromoacetylanisole PubChem CID: 123440 IUPAC Name: 2-bromo-1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(=O)CBr
| PubChem CID | 123440 |
|---|---|
| CAS | 31949-21-0 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00000196 |
| SMILES | COC1=CC=CC=C1C(=O)CBr |
| Synonym | 2-bromo-1-2-methoxyphenyl ethanone,2-bromo-2'-methoxyacetophenone,2-methoxyphenacyl bromide,o-methoxy phenacylbromide,bromomethyl 2-methoxyphenyl ketone,2-bromo-1-2-methoxyphenyl ethan-1-one,2-bromo-2'-methoxy acetophenone,ethanone, 2-bromo-1-methoxyphenyl,alpha-bromo-o-methoxyacetophenone,2-bromoacetylanisole |
| IUPAC Name | 2-bromo-1-(2-methoxyphenyl)ethanone |
| InChI Key | GKNCPTLOPRDYMH-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
3',4'-Dihydroxypropiophenone, 98%
CAS: 7451-98-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016440 InChI Key: HNWIHBDMOYWCGX-UHFFFAOYSA-N Synonym: 3',4'-dihydroxypropiophenone,3,4-dihydroxypropiophenone,propiophenone, 3',4'-dihydroxy,1-3,4-dihydroxyphenyl propan-1-one,1-propanone, 1-3,4-dihydroxyphenyl,1-3,4-dihydroxyphenyl-1-propanone,1-propanone,1-3,4-dihydroxyphenyl,4-propionylbrenzcatechin,propiophenone,4'-dihydroxy,3', 4'-dihydroxypropiophenone PubChem CID: 96267 IUPAC Name: 1-(3,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(=C(C=C1)O)O
| PubChem CID | 96267 |
|---|---|
| CAS | 7451-98-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00016440 |
| SMILES | CCC(=O)C1=CC(=C(C=C1)O)O |
| Synonym | 3',4'-dihydroxypropiophenone,3,4-dihydroxypropiophenone,propiophenone, 3',4'-dihydroxy,1-3,4-dihydroxyphenyl propan-1-one,1-propanone, 1-3,4-dihydroxyphenyl,1-3,4-dihydroxyphenyl-1-propanone,1-propanone,1-3,4-dihydroxyphenyl,4-propionylbrenzcatechin,propiophenone,4'-dihydroxy,3', 4'-dihydroxypropiophenone |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)propan-1-one |
| InChI Key | HNWIHBDMOYWCGX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one, 97%, Thermo Scientific™
CAS: 10045-52-0 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.259 MDL Number: MFCD00068112 InChI Key: ZOOGZFPRAKXWKI-UHFFFAOYSA-N Synonym: 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole PubChem CID: 604819 IUPAC Name: 1-(2-phenyl-1,3-thiazol-4-yl)ethanone SMILES: CC(=O)C1=CSC(=N1)C2=CC=CC=C2
| PubChem CID | 604819 |
|---|---|
| CAS | 10045-52-0 |
| Molecular Weight (g/mol) | 203.259 |
| MDL Number | MFCD00068112 |
| SMILES | CC(=O)C1=CSC(=N1)C2=CC=CC=C2 |
| Synonym | 1-2-phenylthiazol-4-yl ethanone,1-2-phenyl-1,3-thiazol-4-yl ethan-1-one,1-2-phenyl-1,3-thiazol-4-yl ethanone,4-acetyl-2-phenylthiazole,1-2-phenyl-1,3-thiazol-4-yl-1-ethanone,ethanone, 1-2-phenyl-4-thiazolyl,4-acetyl-2-phenyl-1,3-thiazole,maybridge1_008631,buttpark 15357-18,2-phenyl-4-acetylthiazole |
| IUPAC Name | 1-(2-phenyl-1,3-thiazol-4-yl)ethanone |
| InChI Key | ZOOGZFPRAKXWKI-UHFFFAOYSA-N |
| Molecular Formula | C11H9NOS |