7,4'-Dihydroxyflavan
Basic information
- CAS
494-48-4- Standard SMILES
Oc1ccc(C2CCc3ccc(O)cc3O2)cc1- InChIKey
YXMLGIGHGPSEKA-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Overview
7,4'-Dihydroxyflavan has been reported in Botrytis cinerea, Brosimum acutifolium, and other organisms with data available.
Names & identifiers
- Preferred name
- 7,4'-Dihydroxyflavan
- IUPAC
- 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
- English name
- 7,4’－Dihydroxyflavan
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
4',7-FlavandiolB4E4V9PLU52H-1-Benzopyran-7-ol, 3,4-dihydro-2-(4-hydroxyphenyl)-RefChem:910797,4'-Dihydroxyflavan3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-olCHEMBL508033494-48-47,4''-DihydroxyflavanSCHEMBL29601722-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olSCHEMBL30205825
Show more names
7,4’－Dihydroxyflavan
(+/-)-7,4'-DihydroxyflavanDTXSID0012180747,4'-Dihydroxyflavan, (+/-)-BDBM50241625
Database identifiers
- CAS
494-48-4- PubChem CID
- 3500616
- DTXSID
DTXSID001218074- ChEMBL
CHEMBL508033- UNII
- B4E4V9PLU5
- Nikkaji
- J3.344.672A
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Chemistry & industry
Additional notes
DefinitionChEBI: 7,4'-Dihydroxyflavan is a hydroxyflavonoid.
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Related reactions
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Compound notes
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