Basic information
- Standard SMILES
COc1cc(CC(=O)O)ccc1Oc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1- InChIKey
UJPNEJNUMWNZDP-UHFFFAOYSA-N- Molecular formula
- C24H22ClNO5
- Average molar mass
- 439.9 g/mol
- Monoisotopic mass
- 439.1186505
Names & identifiers
- Preferred name
- 2-(4-(4-((4-Chlorophenethyl)carbamoyl)phenoxy)-3-methoxyphenyl)acetic acid
- IUPAC
- 2-[4-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenoxy]-3-methoxyphenyl]acetic acid
Names & synonyms
SCHEMBL2989942UJPNEJNUMWNZDP-UHFFFAOYSA-N2-(4-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3-methoxyphenyl)acetic acid
Database identifiers
- PubChem CID
- 59403154
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 572
Related reactions
3 records
Compound notes
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