1-benzofuran-2,3-diol

C8H6O3 — CID 22994886

IUPAC1-benzofuran-2,3-diol
SMILESOc1oc2ccccc2c1O
InChIInChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H
InChIKeyDNDWXJDUTDZBNV-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.84
Rot. Bonds

About 1-benzofuran-2,3-diol

1-benzofuran-2,3-diol (PubChem CID 22994886) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 1-benzofuran-2,3-diol.

Molecular Properties

Compound Name1-benzofuran-2,3-diol
PubChem CID22994886
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name1-benzofuran-2,3-diol
SMILESOc1oc2ccccc2c1O
InChIInChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H
InChIKeyDNDWXJDUTDZBNV-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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Related Compounds

2-nitroso-1-benzofuran-3-ol
CID 595970
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
4-hydroxy-3-methylchromen-2-one
CID 54687016
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
2-fluorodibenzofuran-1-ol
CID 156783586
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
2-amino-2-(3-hydroxy-1-benzofuran-2-yl)acetic acid
CID 112545979

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2,3-diol?
The IUPAC name of 1-benzofuran-2,3-diol (CID 22994886) is 1-benzofuran-2,3-diol.
What is the SMILES notation for 1-benzofuran-2,3-diol?
The canonical SMILES for 1-benzofuran-2,3-diol is Oc1oc2ccccc2c1O.
What is the InChIKey of 1-benzofuran-2,3-diol?
The InChIKey is DNDWXJDUTDZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H.
What are the key properties of 1-benzofuran-2,3-diol?
1-benzofuran-2,3-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 1-benzofuran-2,3-diol is sourced from PubChem (CID 22994886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).