2-benzofuran-1,3-diol

C8H6O3 — CID 19350178

IUPAC2-benzofuran-1,3-diol
SMILESOc1oc(O)c2ccccc12
InChIInChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,9-10H
InChIKeyLLHJOCLZBWMOBF-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.84
Rot. Bonds

About 2-benzofuran-1,3-diol

2-benzofuran-1,3-diol (PubChem CID 19350178) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 2-benzofuran-1,3-diol.

Molecular Properties

Compound Name2-benzofuran-1,3-diol
PubChem CID19350178
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name2-benzofuran-1,3-diol
SMILESOc1oc(O)c2ccccc12
InChIInChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,9-10H
InChIKeyLLHJOCLZBWMOBF-UHFFFAOYSA-N
XLogP1.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1,3-diol?
The IUPAC name of 2-benzofuran-1,3-diol (CID 19350178) is 2-benzofuran-1,3-diol.
What is the SMILES notation for 2-benzofuran-1,3-diol?
The canonical SMILES for 2-benzofuran-1,3-diol is Oc1oc(O)c2ccccc12.
What is the InChIKey of 2-benzofuran-1,3-diol?
The InChIKey is LLHJOCLZBWMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,9-10H.
What are the key properties of 2-benzofuran-1,3-diol?
2-benzofuran-1,3-diol has a molecular weight of 150.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-diol is sourced from PubChem (CID 19350178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).