Phenylacetic acid, 4-methoxyphenyl ester
Basic information
- CAS
2308-20-5- Standard SMILES
COc1ccc(OC(=O)Cc2ccccc2)cc1- InChIKey
QLPZFSTUQGHXNJ-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- Phenylacetic acid, 4-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) 2-phenylacetate
Names & synonyms
Phenylacetic acid, 4-methoxyphenyl esterOprea1_280630Oprea1_8547914-Methoxyphenyl phenylacetate4-Methoxyphenyl benzeneacetateSCHEMBL1171462CHEMBL5497064QLPZFSTUQGHXNJ-UHFFFAOYSA-NDTXSID301306656AKOS0029574092308-20-5
Database identifiers
- CAS
2308-20-5- PubChem CID
- 532299
- DTXSID
DTXSID301306656- ChEMBL
CHEMBL5497064- Nikkaji
- J2.393.200H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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