Basic information
- CAS
33533-90-3- Standard SMILES
COc1ccc(C(=O)Cc2ccccc2C(=O)O)cc1- InChIKey
DPXWHZUTDZONDB-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 3-(4-Methoxybenzoylmethyl)benzoic acid
- IUPAC
- 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid
- English name
- 2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid
- Molecular formula
- C16H14O4
- Molecular weight
- 0
Names & synonyms
33533-90-3o-Toluic acid, alpha-(p-methoxybenzoyl)-XBW8WR21TVBenzoic acid, 2-(2-(4-methoxyphenyl)-2-oxoethyl)-NSC-1230163-(4-Methoxybenzoylmethyl)benzoic acido-Toluic acid, alpha-p-anisoyl-DTXSID40187187F-1271Benzoic acid, 2-[2-(4-methoxyphenyl)-2-oxoethyl]-RefChem:1066875DTXCID50109678
Show more names
2-(4-Methoxy-β-oxophenethyl)benzoic acid2-[2-Oxo-2-(4-methoxyphenyl)ethyl]benzoic acid
2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acidF 1271o-Toluic acid, .alpha.-p-anisoyl-MLS0027072782-(2-(4-METHOXYPHENYL)-2-OXOETHYL)BENZOIC ACIDNSC 123016alpha-(p-Methoxybenzoyl)-o-toluic acidBRN 2698639
Database identifiers
- CAS
33533-90-3- PubChem CID
- 97435
- DTXSID
DTXSID40187187- ChEMBL
CHEMBL1729526- UNII
- XBW8WR21TV
- Nikkaji
- J85.066G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- FDA UNII
- 8 WR21TV · XBW8WR21TV
Chemistry & industry
Suppliers1 total
圣莱科特国际集团[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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