2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

2-arylbenzofuran flavonoids

Organic compounds

Phenylpropanoids and polyketides

2-arylbenzofuran flavonoids

Calculated Property

kind Value Source
logP 3.19 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.12e-01 g/l ALOGPS
logP 3.09 ChemAxon
IUPAC Name 2-(4-hydroxyphenyl)-1-benzofuran-5-ol ChemAxon
Traditional IUPAC Name 2-(4-hydroxyphenyl)-1-benzofuran-5-ol ChemAxon
Molecular Weight 226.2274 ChemAxon
Monoisotopic Weight 226.062994186 ChemAxon
SMILES OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2 ChemAxon
Molecular Formula C14H10O3 ChemAxon
InChI InChI=1S/C14H10O3/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,15-16H ChemAxon
InChIKey InChIKey=SNNNDCMXZYWCCI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 53.6 ChemAxon
Refractivity 63.87 ChemAxon
Polarizability 24.14 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.13 ChemAxon
pKa (strongest basic) -3.3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Estrogen receptor beta : in Human