Basic information
- CAS
53183-84-9- Standard SMILES
COC(=O)Cc1cc(OC)cc(-c2ccc(Cl)cc2)c1- InChIKey
QKYQLJGXPIDZKX-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester
- IUPAC
- methyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate
- English name
- 4'-Chloro-5-methoxy-3-biphenylacetic acid, methyl ester
- Molecular formula
- C16H15ClO3
- Molecular weight
- 290.74
Names & synonyms
BRN 213218853183-84-93-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-, METHYL ESTER4'-Chloro-5-methoxy-3-biphenylacetic acid methyl esterDTXSID90201241RefChem:277101DTXCID90123732CHEMBL3244546DB-324962Methyl (4'-chloro-5-methoxy[1,1'-biphenyl]-3-yl)acetate4'-CHLORO-5-METHOXY-3-BIPHENYLACETIC ACID, METHYL ESTER4'-Chloro-5-methoxy-1,1'-biphenyl-3-acetic acid methyl ester
Show more names
[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-methoxy-, methyl ester
Database identifiers
- CAS
53183-84-9- PubChem CID
- 40633
- DTXSID
DTXSID90201241- ChEMBL
CHEMBL3244546- Nikkaji
- J78.991G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 55 · 55-56 °C(Solv: methanol (67-56-1))
- Boiling point
- 394.8 · 394.8±32.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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