2-(4-bromopentan-2-yl)-1-benzofuran

C13H15BrO — CID 114733955

IUPAC2-(4-bromopentan-2-yl)-1-benzofuran
SMILESCC(Br)CC(C)c1cc2ccccc2o1
InChIInChI=1S/C13H15BrO/c1-9(7-10(2)14)13-8-11-5-3-4-6-12(11)15-13/h3-6,8-10H,7H2,1-2H3
InChIKeyPMWCLSVXTYEJBA-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromopentan-2-yl)-1-benzofuran

2-(4-bromopentan-2-yl)-1-benzofuran (PubChem CID 114733955) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(4-bromopentan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-bromopentan-2-yl)-1-benzofuran
PubChem CID114733955
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name2-(4-bromopentan-2-yl)-1-benzofuran
SMILESCC(Br)CC(C)c1cc2ccccc2o1
InChIInChI=1S/C13H15BrO/c1-9(7-10(2)14)13-8-11-5-3-4-6-12(11)15-13/h3-6,8-10H,7H2,1-2H3
InChIKeyPMWCLSVXTYEJBA-UHFFFAOYSA-N
XLogP4.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-1-benzofuran
CID 12065919
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
2-[5-(2-methylpropoxy)pentan-2-yl]-1-benzofuran
CID 173058353
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-ol
CID 115836093
[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate
CID 155809297

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopentan-2-yl)-1-benzofuran?
The IUPAC name of 2-(4-bromopentan-2-yl)-1-benzofuran (CID 114733955) is 2-(4-bromopentan-2-yl)-1-benzofuran.
What is the SMILES notation for 2-(4-bromopentan-2-yl)-1-benzofuran?
The canonical SMILES for 2-(4-bromopentan-2-yl)-1-benzofuran is CC(Br)CC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-(4-bromopentan-2-yl)-1-benzofuran?
The InChIKey is PMWCLSVXTYEJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-9(7-10(2)14)13-8-11-5-3-4-6-12(11)15-13/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(4-bromopentan-2-yl)-1-benzofuran?
2-(4-bromopentan-2-yl)-1-benzofuran has a molecular weight of 267.17 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopentan-2-yl)-1-benzofuran is sourced from PubChem (CID 114733955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).