Basic information
- CAS
61888-71-9- Standard SMILES
CCOC(=O)Cc1cc(OC)cc(-c2ccc(Cl)cc2)c1- InChIKey
AOPMXIBPWNMHOD-UHFFFAOYSA-N- Molecular formula
- C17H17ClO3
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.0866221
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, ethyl ester
- IUPAC
- ethyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate
- English name
- 4'-Chloro-5-methoxy-3-biphenylacetic acid, ethyl ester
- Molecular formula
- C17H17ClO3
- Molecular weight
- 304.77
Names & synonyms
61888-71-9BRN 21381923-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-, ETHYL ESTER4'-Chloro-5-methoxy-3-biphenylacetic acid ethyl esterDTXSID10210895RefChem:277100DTXCID40133386CHEMBL3244547DB-324961Ethyl (4'-chloro-5-methoxy[1,1'-biphenyl]-3-yl)acetate4'-CHLORO-5-METHOXY-3-BIPHENYLACETIC ACID, ETHYL ESTER4'-Chloro-5-methoxy-1,1'-biphenyl-3-acetic acid ethyl ester
Show more names
[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-methoxy-, ethyl ester
Database identifiers
- CAS
61888-71-9- PubChem CID
- 43846
- DTXSID
DTXSID10210895- ChEMBL
CHEMBL3244547- Nikkaji
- J78.989E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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