(2-bromo-1-cyclopropylethyl)benzene

C11H13Br — CID 57168506

IUPAC(2-bromo-1-cyclopropylethyl)benzene
SMILESBrCC(c1ccccc1)C1CC1
InChIInChI=1S/C11H13Br/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDVOJDTCADVDFCG-UHFFFAOYSA-N
MW225.13 g/mol
LogP3.58
Rot. Bonds3

About (2-bromo-1-cyclopropylethyl)benzene

(2-bromo-1-cyclopropylethyl)benzene (PubChem CID 57168506) has the molecular formula C11H13Br and a molecular weight of 225.13 g/mol. Its IUPAC name is (2-bromo-1-cyclopropylethyl)benzene.

Molecular Properties

Compound Name(2-bromo-1-cyclopropylethyl)benzene
PubChem CID57168506
Molecular FormulaC11H13Br
Molecular Weight225.13 g/mol
Exact Mass224.02
IUPAC Name(2-bromo-1-cyclopropylethyl)benzene
SMILESBrCC(c1ccccc1)C1CC1
InChIInChI=1S/C11H13Br/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDVOJDTCADVDFCG-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-bromo-1-cyclopropylethyl)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

3-cyclopropyl-3-phenylpropan-1-ol
CID 19754835
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
CID 82088100
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
[bromo-[4-[bromo(phenyl)methyl]cyclohexyl]methyl]benzene
CID 126511399
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
2-phenyl-2-piperidin-4-ylethanol
CID 67125295

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-cyclopropylethyl)benzene?
The IUPAC name of (2-bromo-1-cyclopropylethyl)benzene (CID 57168506) is (2-bromo-1-cyclopropylethyl)benzene.
What is the SMILES notation for (2-bromo-1-cyclopropylethyl)benzene?
The canonical SMILES for (2-bromo-1-cyclopropylethyl)benzene is BrCC(c1ccccc1)C1CC1.
What is the InChIKey of (2-bromo-1-cyclopropylethyl)benzene?
The InChIKey is DVOJDTCADVDFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of (2-bromo-1-cyclopropylethyl)benzene?
(2-bromo-1-cyclopropylethyl)benzene has a molecular weight of 225.13 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-cyclopropylethyl)benzene is sourced from PubChem (CID 57168506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).