Organooxygen compounds
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4-(4-Fluorobenzoyl)butyric Acid 98.0+%, TCI America™
CAS: 149437-76-3 Molecular Formula: C11H11FO3 Molecular Weight (g/mol): 210.204 MDL Number: MFCD00667222 InChI Key: ZBQROUOOMAMCQW-UHFFFAOYSA-N Synonym: 4-4-fluorobenzoyl butyric acid,5-4-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butyricacid,5-4-fluorophenyl-5-oxovaleric acid,4-fluorobenzoylbutyric acid,5-4'-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butanoic acid,4-4-fluorobenzoyl-butyric acid,4-fluorophenyl-5-oxopentanoic acid,4-4'-fluorobenzoyl butyric acid PubChem CID: 689096 IUPAC Name: 5-(4-fluorophenyl)-5-oxopentanoic acid SMILES: C1=CC(=CC=C1C(=O)CCCC(=O)O)F
| PubChem CID | 689096 |
|---|---|
| CAS | 149437-76-3 |
| Molecular Weight (g/mol) | 210.204 |
| MDL Number | MFCD00667222 |
| SMILES | C1=CC(=CC=C1C(=O)CCCC(=O)O)F |
| Synonym | 4-4-fluorobenzoyl butyric acid,5-4-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butyricacid,5-4-fluorophenyl-5-oxovaleric acid,4-fluorobenzoylbutyric acid,5-4'-fluorophenyl-5-oxopentanoic acid,4-4-fluorobenzoyl butanoic acid,4-4-fluorobenzoyl-butyric acid,4-fluorophenyl-5-oxopentanoic acid,4-4'-fluorobenzoyl butyric acid |
| IUPAC Name | 5-(4-fluorophenyl)-5-oxopentanoic acid |
| InChI Key | ZBQROUOOMAMCQW-UHFFFAOYSA-N |
| Molecular Formula | C11H11FO3 |
Raloxifene Hydrochloride 98.0+%, TCI America™
CAS: 82640-04-8 Molecular Formula: C28H28ClNO4S Molecular Weight (g/mol): 510.045 MDL Number: MFCD01938233 InChI Key: BKXVVCILCIUCLG-UHFFFAOYSA-N Synonym: raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride PubChem CID: 54900 ChEBI: CHEBI:50740 IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
| PubChem CID | 54900 |
|---|---|
| CAS | 82640-04-8 |
| Molecular Weight (g/mol) | 510.045 |
| ChEBI | CHEBI:50740 |
| MDL Number | MFCD01938233 |
| SMILES | C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl |
| Synonym | raloxifene hydrochloride,raloxifene hcl,evista,keoxifene hydrochloride,6-hydroxy-2-4-hydroxyphenyl benzo b thiophen-3-yl 4-2-piperidin-1-yl ethoxy phenyl methanone hydrochloride,keoxifene,unii-4f86w47br6,evista raloxifene hydrochloride,6-hydroxy-2-p-hydroxyphenyl benzo b thien-3-yl-p-2-piperidinoethoxy phenyl ketone, hydrochloride |
| IUPAC Name | [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride |
| InChI Key | BKXVVCILCIUCLG-UHFFFAOYSA-N |
| Molecular Formula | C28H28ClNO4S |
Phenacyl Bromide 98.0+%, TCI America™
CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 6259 |
|---|---|
| CAS | 70-11-1 |
| Molecular Weight (g/mol) | 199.047 |
| ChEBI | CHEBI:51846 |
| MDL Number | MFCD00000195 |
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo |
| IUPAC Name | 2-bromo-1-phenylethanone |
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
Furoin 96.0+%, TCI America™
CAS: 552-86-3 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003246 InChI Key: MIJRFWVFNKQQDK-UHFFFAOYNA-N Synonym: furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone PubChem CID: 11100 IUPAC Name: 1,2-bis(furan-2-yl)-2-hydroxyethan-1-one SMILES: OC(C(=O)C1=CC=CO1)C1=CC=CO1
| PubChem CID | 11100 |
|---|---|
| CAS | 552-86-3 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00003246 |
| SMILES | OC(C(=O)C1=CC=CO1)C1=CC=CO1 |
| Synonym | furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone |
| IUPAC Name | 1,2-bis(furan-2-yl)-2-hydroxyethan-1-one |
| InChI Key | MIJRFWVFNKQQDK-UHFFFAOYNA-N |
| Molecular Formula | C10H8O4 |
2-(Dimethylamino)-6-propionylnaphthalene 98.0+%, TCI America™
CAS: 70504-01-7 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.31 MDL Number: MFCD00056615 InChI Key: MPPQGYCZBNURDG-UHFFFAOYSA-N Synonym: Prodan PubChem CID: 107729 ChEBI: CHEBI:51909 IUPAC Name: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one SMILES: CCC(=O)C1=CC=C2C=C(C=CC2=C1)N(C)C
| PubChem CID | 107729 |
|---|---|
| CAS | 70504-01-7 |
| Molecular Weight (g/mol) | 227.31 |
| ChEBI | CHEBI:51909 |
| MDL Number | MFCD00056615 |
| SMILES | CCC(=O)C1=CC=C2C=C(C=CC2=C1)N(C)C |
| Synonym | Prodan |
| IUPAC Name | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
| InChI Key | MPPQGYCZBNURDG-UHFFFAOYSA-N |
| Molecular Formula | C15H17NO |
4,4'-Difluorobenzil 98.0+%, TCI America™
CAS: 579-39-5 Molecular Formula: C14H8F2O2 Molecular Weight (g/mol): 246.213 MDL Number: MFCD00134541 InChI Key: BRKULQOUSCHDGS-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx PubChem CID: 123072 IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
| PubChem CID | 123072 |
|---|---|
| CAS | 579-39-5 |
| Molecular Weight (g/mol) | 246.213 |
| MDL Number | MFCD00134541 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F |
| Synonym | 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx |
| IUPAC Name | 1,2-bis(4-fluorophenyl)ethane-1,2-dione |
| InChI Key | BRKULQOUSCHDGS-UHFFFAOYSA-N |
| Molecular Formula | C14H8F2O2 |
3,4'-Dichloropropiophenone 98.0+%, TCI America™
CAS: 3946-29-0 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000992 InChI Key: AYFJBHFMQODYBC-UHFFFAOYSA-N Synonym: 3,4'-dichloropropiophenone,3-chloro-1-4-chlorophenyl propan-1-one,1-propanone, 3-chloro-1-4-chlorophenyl,2-chloroethyl-4-chlorophenylketone,pubchem13270,acmc-209j5n,beta,4-dichloropropiophenone,4',beta-dichloropropiophenone,3-chloro-4'-chloropropiophenone,attercop-chm at130375 PubChem CID: 77550 IUPAC Name: 3-chloro-1-(4-chlorophenyl)propan-1-one SMILES: ClCCC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 77550 |
|---|---|
| CAS | 3946-29-0 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000992 |
| SMILES | ClCCC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 3,4'-dichloropropiophenone,3-chloro-1-4-chlorophenyl propan-1-one,1-propanone, 3-chloro-1-4-chlorophenyl,2-chloroethyl-4-chlorophenylketone,pubchem13270,acmc-209j5n,beta,4-dichloropropiophenone,4',beta-dichloropropiophenone,3-chloro-4'-chloropropiophenone,attercop-chm at130375 |
| IUPAC Name | 3-chloro-1-(4-chlorophenyl)propan-1-one |
| InChI Key | AYFJBHFMQODYBC-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
2-Chloro-4'-phenylacetophenone 99.0+%, TCI America™
CAS: 635-84-7 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00058937 InChI Key: IQEIGQFNDLINOT-UHFFFAOYSA-N Synonym: 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride PubChem CID: 69463 IUPAC Name: 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one SMILES: ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69463 |
|---|---|
| CAS | 635-84-7 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00058937 |
| SMILES | ClCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-Chloroacetylbiphenyl, 4-Phenylphenacyl Chloride |
| IUPAC Name | 1-{[1,1'-biphenyl]-4-yl}-2-chloroethan-1-one |
| InChI Key | IQEIGQFNDLINOT-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
4'-tert-Butyl-4-chlorobutyrophenone 95.0+%, TCI America™
CAS: 43076-61-5 Molecular Formula: C14H19ClO Molecular Weight (g/mol): 238.755 MDL Number: MFCD00018996 InChI Key: RLKSQLJFGCDUOX-UHFFFAOYSA-N Synonym: 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone PubChem CID: 2723694 IUPAC Name: 1-(4-tert-butylphenyl)-4-chlorobutan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
| PubChem CID | 2723694 |
|---|---|
| CAS | 43076-61-5 |
| Molecular Weight (g/mol) | 238.755 |
| MDL Number | MFCD00018996 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl |
| Synonym | 4'-tert-butyl-4-chlorobutyrophenone,1-4-tert-butyl phenyl-4-chlorobutan-1-one,4'-tertbutyl-4-chlorobutyrophenone,1-4-tert-butylphenyl-4-chlorobutan-1-one,acmc-209up0,dsstox_cid_31534,dsstox_rid_97419,dsstox_gsid_57745,4-chloro-1-4-1,1-dimethylethyl phenyl-1-butanone |
| IUPAC Name | 1-(4-tert-butylphenyl)-4-chlorobutan-1-one |
| InChI Key | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
| Molecular Formula | C14H19ClO |
3-(Bromoacetyl)pyridine Hydrobromide 98.0+%, TCI America™
CAS: 17694-68-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.95 MDL Number: MFCD00052182 InChI Key: WDTSYONULAZKIE-UHFFFAOYSA-N Synonym: 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide PubChem CID: 2776234 IUPAC Name: hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide SMILES: [H+].[Br-].BrCC(=O)C1=CC=CN=C1
| PubChem CID | 2776234 |
|---|---|
| CAS | 17694-68-7 |
| Molecular Weight (g/mol) | 280.95 |
| MDL Number | MFCD00052182 |
| SMILES | [H+].[Br-].BrCC(=O)C1=CC=CN=C1 |
| Synonym | 2-bromo-1-pyridin-3-yl ethanone hydrobromide,3-bromoacetyl pyridine hydrobromide,3-2-bromoacetyl pyridine hydrobromide,2-bromo-1-3-pyridinyl ethanone hydrobromide,3-bromoacetyl pyridinium bromide,3-bromoacetyl pyridine hbr,2-bromo-1-pyridin-3-ylethan-1-one hydrobromide,2-bromo-1-pyridin-3-ylethanone hydrobromide,3-bromoacetylpyridine hydrobromide |
| IUPAC Name | hydrogen 2-bromo-1-(pyridin-3-yl)ethan-1-one bromide |
| InChI Key | WDTSYONULAZKIE-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2NO |
6-Hydroxy-1-indanone 98.0+%, TCI America™
CAS: 62803-47-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00513530 InChI Key: MOANRQDXNNXOLW-UHFFFAOYSA-N PubChem CID: 7020659 IUPAC Name: 6-hydroxy-2,3-dihydro-1H-inden-1-one SMILES: OC1=CC2=C(CCC2=O)C=C1
| PubChem CID | 7020659 |
|---|---|
| CAS | 62803-47-8 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00513530 |
| SMILES | OC1=CC2=C(CCC2=O)C=C1 |
| IUPAC Name | 6-hydroxy-2,3-dihydro-1H-inden-1-one |
| InChI Key | MOANRQDXNNXOLW-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
3'-Nitropropiophenone 98.0+%, TCI America™
CAS: 17408-16-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00051516 InChI Key: VSPOTMOYDHRALZ-UHFFFAOYSA-N Synonym: 3'-nitropropiophenone,1-3-nitrophenyl propan-1-one,m-nitropropiophenone,3-nitrophenyl ethyl ketone,1-propanone, 1-3-nitrophenyl,m-nitropropio-phenone,3;-nitropropiophenone,acmc-209e7u,3-nitropropiophenone,1-3-nitrophenyl propan-l-one PubChem CID: 87096 IUPAC Name: 1-(3-nitrophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 87096 |
|---|---|
| CAS | 17408-16-1 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00051516 |
| SMILES | CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | 3'-nitropropiophenone,1-3-nitrophenyl propan-1-one,m-nitropropiophenone,3-nitrophenyl ethyl ketone,1-propanone, 1-3-nitrophenyl,m-nitropropio-phenone,3;-nitropropiophenone,acmc-209e7u,3-nitropropiophenone,1-3-nitrophenyl propan-l-one |
| IUPAC Name | 1-(3-nitrophenyl)propan-1-one |
| InChI Key | VSPOTMOYDHRALZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
2'-Iodoacetophenone 98.0+%, TCI America™
CAS: 2142-70-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.047 MDL Number: MFCD00094998 InChI Key: XDXCBCXNCQGZPG-UHFFFAOYSA-N Synonym: 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene PubChem CID: 240431 IUPAC Name: 1-(2-iodophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1I
| PubChem CID | 240431 |
|---|---|
| CAS | 2142-70-3 |
| Molecular Weight (g/mol) | 246.047 |
| MDL Number | MFCD00094998 |
| SMILES | CC(=O)C1=CC=CC=C1I |
| Synonym | 2'-iodoacetophenone,1-2-iodophenyl ethanone,o-iodoacetophenone,1-2-iodophenyl ethan-1-one,o-iodobenzoyl,acetophenone, o-iodo,acetophenone, 2'-iodo,ethanone, 1-iodophenyl,ethanone, 1-2-iodophenyl,1-acetyl-2-iodobenzene |
| IUPAC Name | 1-(2-iodophenyl)ethanone |
| InChI Key | XDXCBCXNCQGZPG-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO |
2-Acetylnaphtho[2,3-b]furan-4,9-dione 98.0+%, TCI America™
CAS: 83280-65-3 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.21 MDL Number: MFCD28155270 InChI Key: DPHUWDIXHNQOSY-UHFFFAOYSA-N Synonym: Napabucasin PubChem CID: 10331844 IUPAC Name: 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione SMILES: CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 10331844 |
|---|---|
| CAS | 83280-65-3 |
| Molecular Weight (g/mol) | 240.21 |
| MDL Number | MFCD28155270 |
| SMILES | CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O |
| Synonym | Napabucasin |
| IUPAC Name | 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione |
| InChI Key | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |