3-(3-Methoxyphenyl)-2-(4-methoxyphenyl)pentanoic acid
Basic information
- CAS
5424-72-6- Standard SMILES
CCC(c1cccc(OC)c1)C(C(=O)O)c1ccc(OC)cc1- InChIKey
YSWXNSSNXKEMCA-UHFFFAOYSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-2-(4-methoxyphenyl)pentanoic acid
- IUPAC
- 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pentanoic acid
Names & synonyms
5424-72-63-(3-methoxyphenyl)-2-(4-methoxyphenyl)pentanoic acidNSC12264DTXSID30279323NSC-12264
Database identifiers
- CAS
5424-72-6- PubChem CID
- 224039
- DTXSID
DTXSID30279323
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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