Basic information
- CAS
114607-42-0- Standard SMILES
Oc1ccc(C2Oc3ccccc3CC2O)cc1- InChIKey
RHMDHKFPODHLJH-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-ol
- IUPAC
- 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-3-ol
Names & synonyms
114607-42-03,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-ol4'-hydroxyflavan-3-olSCHEMBL161505412H-1-Benzopyran-3-ol, 3,4-dihydro-2-(4-hydroxyphenyl)-DTXSID509214332-(4-HYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-OL
Database identifiers
- CAS
114607-42-0- PubChem CID
- 150601
- DTXSID
DTXSID50921433
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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