2-Butylbenzofuran

C₁₂H₁₄OCAS 4265-27-4174.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄O
Molar mass: 174.24 g/mol
Exact mass: 174.1045 Da
Boiling point: 129 °C (at 15 Torr)
logP: 3.78Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

4265-27-4

SMILES

CCCCc1cc2ccccc2o1

InChIKey

OVJKFJDEVKABNF-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzofuran, 2-butyl-
2-Butylbenzo[b]furan
2-Butyl-1-benzofuran
2-(n-Butyl)benzofuran

Work with 2-Butylbenzofuran

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-Ethylbenzofuran3131-63-363 % similar 2-Butyl-5-nitrobenzofuran133238-87-653 % similar 2-Benzofuranmethanol55038-01-253 % similar R-(-)-Bpap260550-89-851 % similar 2-Butylfuran4466-24-446 % similar n-Butylbenzene104-51-845 % similar 2-Pentylfuran3777-69-341 % similar 6-Amyl-α-pyrone27593-23-340 % similar

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

Same formula

3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-5 2-Phenylcyclohexanone1444-65-1 4-Methyl-2-phenyl-2-pentenal26643-91-4 2-Benzylcyclopentanone2867-63-2 4-Phenylcyclohexanone4894-75-1 Cyclopentyl phenyl ketone5422-88-8 6-Acetyltetralin774-55-0

Elsewhere

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