4-(1-benzofuran-2-yl)benzene-1,3-diol

C14H10O3 — CID 15126658

IUPAC4-(1-benzofuran-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cc3ccccc3o2)c(O)c1
InChIInChI=1S/C14H10O3/c15-10-5-6-11(12(16)8-10)14-7-9-3-1-2-4-13(9)17-14/h1-8,15-16H
InChIKeyVVIAFPKKGSQBGW-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.51
Rot. Bonds1

About 4-(1-benzofuran-2-yl)benzene-1,3-diol

4-(1-benzofuran-2-yl)benzene-1,3-diol (PubChem CID 15126658) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)benzene-1,3-diol
PubChem CID15126658
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name4-(1-benzofuran-2-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cc3ccccc3o2)c(O)c1
InChIInChI=1S/C14H10O3/c15-10-5-6-11(12(16)8-10)14-7-9-3-1-2-4-13(9)17-14/h1-8,15-16H
InChIKeyVVIAFPKKGSQBGW-UHFFFAOYSA-N
XLogP3.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(1-benzofuran-2-yl)benzene-1,3-diol (CID 15126658) is 4-(1-benzofuran-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(1-benzofuran-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(1-benzofuran-2-yl)benzene-1,3-diol is Oc1ccc(-c2cc3ccccc3o2)c(O)c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)benzene-1,3-diol?
The InChIKey is VVIAFPKKGSQBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-10-5-6-11(12(16)8-10)14-7-9-3-1-2-4-13(9)17-14/h1-8,15-16H.
What are the key properties of 4-(1-benzofuran-2-yl)benzene-1,3-diol?
4-(1-benzofuran-2-yl)benzene-1,3-diol has a molecular weight of 226.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)benzene-1,3-diol is sourced from PubChem (CID 15126658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).