Basic information
- CAS
61927-06-8- Standard SMILES
CCCOc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
SZTJOZJNKITFNG-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-propoxy-
- IUPAC
- 2-[3-(4-chlorophenyl)-5-propoxyphenyl]acetic acid
- English name
- 4'-Chloro-5-propoxy-3-biphenylacetic acid
- Molecular formula
- C17H17ClO3
- Molecular weight
- 304.77
Names & synonyms
61927-06-8BRN 21381654'-Chloro-5-propoxy-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 4'-CHLORO-5-PROPOXY-DTXSID80210963RefChem:277104DTXCID10133454CHEMBL3244537DB-305757(4'-Chloro-5-propoxy[1,1'-biphenyl]-3-yl)acetic acid4'-Chloro-5-propoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-propoxy-
Database identifiers
- CAS
61927-06-8- PubChem CID
- 43850
- DTXSID
DTXSID80210963- ChEMBL
CHEMBL3244537- Nikkaji
- J78.996H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- 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
Loading…