(2-bromo-1-cyclopropylpropyl)benzene

C12H15Br — CID 66470259

IUPAC(2-bromo-1-cyclopropylpropyl)benzene
SMILESCC(Br)C(c1ccccc1)C1CC1
InChIInChI=1S/C12H15Br/c1-9(13)12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyWLGXVXHFRZHYOK-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.96
Rot. Bonds3

About (2-bromo-1-cyclopropylpropyl)benzene

(2-bromo-1-cyclopropylpropyl)benzene (PubChem CID 66470259) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is (2-bromo-1-cyclopropylpropyl)benzene.

Molecular Properties

Compound Name(2-bromo-1-cyclopropylpropyl)benzene
PubChem CID66470259
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name(2-bromo-1-cyclopropylpropyl)benzene
SMILESCC(Br)C(c1ccccc1)C1CC1
InChIInChI=1S/C12H15Br/c1-9(13)12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyWLGXVXHFRZHYOK-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-bromo-1-cyclopropylpropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
1-bromoethylbenzene
CID 11454
(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine
CID 140530648
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
CID 173352600
(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2-methyl-3-phenyl-3-piperidin-4-ylpropanamide
CID 174485434

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-cyclopropylpropyl)benzene?
The IUPAC name of (2-bromo-1-cyclopropylpropyl)benzene (CID 66470259) is (2-bromo-1-cyclopropylpropyl)benzene.
What is the SMILES notation for (2-bromo-1-cyclopropylpropyl)benzene?
The canonical SMILES for (2-bromo-1-cyclopropylpropyl)benzene is CC(Br)C(c1ccccc1)C1CC1.
What is the InChIKey of (2-bromo-1-cyclopropylpropyl)benzene?
The InChIKey is WLGXVXHFRZHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-9(13)12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of (2-bromo-1-cyclopropylpropyl)benzene?
(2-bromo-1-cyclopropylpropyl)benzene has a molecular weight of 239.16 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-cyclopropylpropyl)benzene is sourced from PubChem (CID 66470259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).