2-Hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid
Basic information
- CAS
1311319-73-9- Standard SMILES
O=C(Cc1cccc(O)c1C(=O)O)c1ccc(O)cc1- InChIKey
YIGHIFUVVSYMFG-UHFFFAOYSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Overview
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid substituted by a 2-(4-hydroxyphenyl)-2-oxoethyl group at position 6. It has been isolated from the roots of Scorzonera judaica. It has a role as a metabolite and a plant metabolite. It is a monohydroxybenzoic acid, a member of phenols and an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acid
- IUPAC
- 2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoic acid
Names & synonyms
2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]benzoic acid2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxo-ethyl]benzoic acidCHEMBL1813260CHEBI:68126DTXSID8011902041311319-73-9Q27136618Benzoic acid, 2-hydroxy-6-[2-(4-hydroxyphenyl)-2-oxoethyl]-
Database identifiers
- CAS
1311319-73-9- PubChem CID
- 53359352
- DTXSID
DTXSID801190204- ChEMBL
CHEMBL1813260- ChEBI
CHEBI:68126- Nikkaji
- J2.964.148J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…