1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene

C12H15Br — CID 81350852

IUPAC1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene
SMILESCCc1ccccc1C1CC1CBr
InChIInChI=1S/C12H15Br/c1-2-9-5-3-4-6-11(9)12-7-10(12)8-13/h3-6,10,12H,2,7-8H2,1H3
InChIKeyUNEXTFURZTWQPM-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.75
Rot. Bonds3

About 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene

1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene (PubChem CID 81350852) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene
PubChem CID81350852
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene
SMILESCCc1ccccc1C1CC1CBr
InChIInChI=1S/C12H15Br/c1-2-9-5-3-4-6-11(9)12-7-10(12)8-13/h3-6,10,12H,2,7-8H2,1H3
InChIKeyUNEXTFURZTWQPM-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene?
The IUPAC name of 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene (CID 81350852) is 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene.
What is the SMILES notation for 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene?
The canonical SMILES for 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene is CCc1ccccc1C1CC1CBr.
What is the InChIKey of 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene?
The InChIKey is UNEXTFURZTWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-9-5-3-4-6-11(9)12-7-10(12)8-13/h3-6,10,12H,2,7-8H2,1H3.
What are the key properties of 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene?
1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene has a molecular weight of 239.16 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)cyclopropyl]-2-ethylbenzene is sourced from PubChem (CID 81350852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).