Basic information
- CAS
61888-64-0- Standard SMILES
CCCCCOc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
ZBVRSHIQQHJODM-UHFFFAOYSA-N- Molecular formula
- C19H21ClO3
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.1179222
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-pentoxy-
- IUPAC
- 2-[3-(4-chlorophenyl)-5-pentoxyphenyl]acetic acid
- English name
- 4'-Chloro-5-pentoxy-3-biphenylacetic acid
- Molecular formula
- C19H21ClO3
- Molecular weight
- 332.82
Names & synonyms
61888-64-0BRN 21446574'-Chloro-5-pentoxy-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 4'-CHLORO-5-PENTOXY-DTXSID40210888RefChem:277103DTXCID70133379CHEMBL3244540DB-305755[4'-Chloro-5-(pentyloxy)[1,1'-biphenyl]-3-yl]acetic acid4'-Chloro-5-(pentyloxy)-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-(pentyloxy)-
Database identifiers
- CAS
61888-64-0- PubChem CID
- 43841
- DTXSID
DTXSID40210888- ChEMBL
CHEMBL3244540- Nikkaji
- J78.995J
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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