Basic information
- CAS
51028-89-8- Standard SMILES
COc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
GJLLSKDDNJNTFX-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Overview
structure
Names & identifiers
- Preferred name
- Dka 9
- IUPAC
- 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetic acid
- English name
- DKA 9
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
51028-89-8DKA 9DKA-94'-Chloro-5-methoxy-3-biphenylacetic acidDTXSID501990344'-Chloro-5-methoxy(1,1'-biphenyl)-3-acetic acidRefChem:135290DTXCID801215252-[3-(4-chlorophenyl)-5-methoxyphenyl]acetic acid2-(4'-Chloro-5-methoxy-[1,1'-biphenyl]-3-yl)acetic acidBRN 22171754'-Chloro-5-methoxy-(1,1'-biphenyl)-3-acetic acid
Show more names
4'-chloro-5-methoxy-3-biphenylylacetic acid3-(4-Chlorophenyl)-5-methoxybenzeneacetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-methoxy-
(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-methoxy-CHEMBL6937SCHEMBL6777763-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-3-methoxy-5-(p-chlorophenyl)phenylacetic acid(4'-Chloro-5-methoxy[1,1'-biphenyl]-3-yl)acetic acid
Database identifiers
- CAS
51028-89-8- PubChem CID
- 39876
- DTXSID
DTXSID50199034- ChEMBL
CHEMBL6937- Nikkaji
- J22.700E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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