2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran

C12H11BrO — CID 79322987

IUPAC2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
SMILESCC(=Cc1cc2ccccc2o1)CBr
InChIInChI=1S/C12H11BrO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-7H,8H2,1H3
InChIKeyPHBHMZCPQNSFEH-UHFFFAOYSA-N
MW251.12 g/mol
LogP4.23
Rot. Bonds2

About 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran

2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran (PubChem CID 79322987) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran.

Molecular Properties

Compound Name2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
PubChem CID79322987
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
SMILESCC(=Cc1cc2ccccc2o1)CBr
InChIInChI=1S/C12H11BrO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-7H,8H2,1H3
InChIKeyPHBHMZCPQNSFEH-UHFFFAOYSA-N
XLogP4.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 54.23
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

(E)-3-(1-benzofuran-2-yl)-2-methylprop-2-enenitrile
CID 18339198
2-ethenyl-1-benzofuran
CID 588974
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
2-[(Z)-1-(1-benzofuran-2-yl)prop-1-en-2-yl]pyrazine
CID 75510316
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
CID 172921772
(E)-4-(1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 114735264
N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
CID 6735281
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran?
The IUPAC name of 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran (CID 79322987) is 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran.
What is the SMILES notation for 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran?
The canonical SMILES for 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran is CC(=Cc1cc2ccccc2o1)CBr.
What is the InChIKey of 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran?
The InChIKey is PHBHMZCPQNSFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-9(8-13)6-11-7-10-4-2-3-5-12(10)14-11/h2-7H,8H2,1H3.
What are the key properties of 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran?
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran has a molecular weight of 251.12 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran is sourced from PubChem (CID 79322987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).