2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)prop-2-en-1-yl]benzoic acid
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Basic information
- Standard SMILES
O=C(O)c1ccc(C(O)C=Cc2cccc(O)c2)cc1Cl- InChIKey
QWCGLSGLJBWZGA-UHFFFAOYSA-N- Molecular formula
- C16H13ClO4
- Average molar mass
- 304.72 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)prop-2-en-1-yl]benzoic acid
- IUPAC
- 2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)prop-2-enyl]benzoic acid
Names & synonyms
SCHEMBL7238406SCHEMBL7240199QWCGLSGLJBWZGA-UHFFFAOYSA-N2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)prop-2-en-1-yl]benzoic acid
Database identifiers
- PubChem CID
- 70029752
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
3 records
Compound notes
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