chempirical

2-Benzofuranmethanol

C9H8O2CAS 55038-01-2148.16 g/mol

Open in Covalent MOL file
HOO
Alcohol

Properties

Molecular formula
C9H8O2
Molar mass
148.16 g/mol
Exact mass
148.0524 Da
Density
1.203 g/mL (at 20 °C)
Boiling point
112–113 °C (at 1.1 Torr)
logP
1.93Crippen estimate
Polar surface area
33.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
55038-01-2
SMILES
OCc1cc2ccccc2o1
InChIKey
HSOMHPHYGAQRTF-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2

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Names and synonyms

3 names
  • 2-(Hydroxymethyl)benzofuran
  • Benzofuran-2-ylmethanol
  • 1-(Benzofuran-2-yl)methanol

Work with 2-Benzofuranmethanol

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-Ethylbenzofuran3131-63-360 % similar 2-Butylbenzofuran4265-27-453 % similar 2,5-Bis(hydroxymethyl)furan1883-75-644 % similar 3-Hydroxycoumarin939-19-543 % similar R-(-)-Bpap260550-89-842 % similar 2-Benzofurancarboxylic acid496-41-342 % similar 2-Benzofurancarboxaldehyde4265-16-141 % similar 9-Anthracenemethanol1468-95-741 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3-Isochromanone4385-35-7 3,4-Dihydroisocoumarin4702-34-5 Chromanone491-37-2 α-Phenylacrylic acid492-38-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook