chempirical

5-Benzofuranol

C8H6O2CAS 13196-10-6134.13 g/mol

Open in Covalent MOL file
OHO
Phenol

Properties

Molecular formula
C8H6O2
Molar mass
134.13 g/mol
Exact mass
134.0368 Da
logP
2.14Crippen estimate
Polar surface area
33.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
13196-10-6
SMILES
C1=CC2=C(C=CO2)C=C1O
InChIKey
IZFOPMSVNDORMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,9H

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Names and synonyms

1 names
  • Benzofuran-5-ol

Work with 5-Benzofuranol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dihydroxynaphthalene581-43-150 % similar 5-Methoxybenzofuran13391-28-148 % similar 2,7-Naphthalenediol582-17-248 % similar 1-Benzofuran-5-carbaldehyde10035-16-247 % similar 2-Naphthol135-19-343 % similar 6-Bromobenzofuran128851-73-042 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran519054-55-839 % similar 2-Dibenzofuranol86-77-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenylglyoxal1074-12-0 2(3H)-Benzofuranone553-86-6 1,4-Benzenedicarboxaldehyde623-27-8 Isophthalaldehyde626-19-7 Phthalaldehyde643-79-8 Phthalide87-41-2

Elsewhere

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