(1-bromo-3-cyclopropylpropyl)benzene

C12H15Br — CID 64508118

IUPAC(1-bromo-3-cyclopropylpropyl)benzene
SMILESBrC(CCC1CC1)c1ccccc1
InChIInChI=1S/C12H15Br/c13-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyGDOXLHHNOVPJJV-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.31
Rot. Bonds4

About (1-bromo-3-cyclopropylpropyl)benzene

(1-bromo-3-cyclopropylpropyl)benzene (PubChem CID 64508118) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is (1-bromo-3-cyclopropylpropyl)benzene.

Molecular Properties

Compound Name(1-bromo-3-cyclopropylpropyl)benzene
PubChem CID64508118
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name(1-bromo-3-cyclopropylpropyl)benzene
SMILESBrC(CCC1CC1)c1ccccc1
InChIInChI=1S/C12H15Br/c13-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyGDOXLHHNOVPJJV-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-3-cyclopropylpropyl)benzene?
The IUPAC name of (1-bromo-3-cyclopropylpropyl)benzene (CID 64508118) is (1-bromo-3-cyclopropylpropyl)benzene.
What is the SMILES notation for (1-bromo-3-cyclopropylpropyl)benzene?
The canonical SMILES for (1-bromo-3-cyclopropylpropyl)benzene is BrC(CCC1CC1)c1ccccc1.
What is the InChIKey of (1-bromo-3-cyclopropylpropyl)benzene?
The InChIKey is GDOXLHHNOVPJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-12(9-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2.
What are the key properties of (1-bromo-3-cyclopropylpropyl)benzene?
(1-bromo-3-cyclopropylpropyl)benzene has a molecular weight of 239.16 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-3-cyclopropylpropyl)benzene is sourced from PubChem (CID 64508118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).