Methyl 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]but-2-enoate
Basic information
- CAS
184885-05-0- Standard SMILES
CC=C(Oc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC- InChIKey
JUMMOKYZQOTQGT-UHFFFAOYSA-N- Molecular formula
- C17H15ClO3
- Average molar mass
- 302.7 g/mol
- Monoisotopic mass
- 302.070972
Names & identifiers
- Preferred name
- Methyl 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]but-2-enoate
- IUPAC
- methyl 2-[4-(4-chlorophenyl)phenoxy]but-2-enoate
Names & synonyms
DTXSID001196791Methyl 2-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]but-2-enoateMethyl 2-[(4a(2)-chloro[1,1a(2)-biphenyl]-4-yl)oxy]-2-butenoate184885-05-0
Database identifiers
- CAS
184885-05-0- PubChem CID
- 85706091
- DTXSID
DTXSID001196791
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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