Basic information
- CAS
4339-71-3- Standard SMILES
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1- InChIKey
CDRPUGZCRXZLFL-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Overview
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol has been reported in Pericopsis angolensis, Caragana tibetica, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-(2-(3,5-Dihydroxyphenyl)Ethenyl)Benzene-1,2-Diol
- IUPAC
- 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
Names & synonyms
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol4-(2-(3,5-Dihydroxyphenyl)Ethenyl)Benzene-1,2-DiolRefChem:97004Astringenin;trans-PiceatannolPICESTANNOLKinome_2842KBioGR_000460KBioSS_000460SCHEMBL505561CHEMBL1972346SCHEMBL29754702KBio2_000460
Show more names
KBio2_003028KBio2_005596KBio3_000859KBio3_000860DTXSID20860062CDRPUGZCRXZLFL-UHFFFAOYSA-N3,3',4',5-tetrahydroxystilbeneBio2_000400
Database identifiers
- CAS
4339-71-3- PubChem CID
- 4813
- DTXSID
DTXSID20860062- ChEMBL
CHEMBL1972346
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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