1-bromo-4-[(3-bromocyclopentyl)methyl]benzene

C12H14Br2 — CID 64509389

IUPAC1-bromo-4-[(3-bromocyclopentyl)methyl]benzene
SMILESBrc1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C12H14Br2/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,10,12H,3,6-8H2
InChIKeyVZOCZMQMWJBQMG-UHFFFAOYSA-N
MW318.05 g/mol
LogP4.56
Rot. Bonds2

About 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene

1-bromo-4-[(3-bromocyclopentyl)methyl]benzene (PubChem CID 64509389) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3-bromocyclopentyl)methyl]benzene
PubChem CID64509389
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name1-bromo-4-[(3-bromocyclopentyl)methyl]benzene
SMILESBrc1ccc(CC2CCC(Br)C2)cc1
InChIInChI=1S/C12H14Br2/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,10,12H,3,6-8H2
InChIKeyVZOCZMQMWJBQMG-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 54.56
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-4-[(3-bromocyclopentyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene (CID 64509389) is 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene is Brc1ccc(CC2CCC(Br)C2)cc1.
What is the InChIKey of 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene?
The InChIKey is VZOCZMQMWJBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2/c13-11-4-1-9(2-5-11)7-10-3-6-12(14)8-10/h1-2,4-5,10,12H,3,6-8H2.
What are the key properties of 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene?
1-bromo-4-[(3-bromocyclopentyl)methyl]benzene has a molecular weight of 318.05 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3-bromocyclopentyl)methyl]benzene is sourced from PubChem (CID 64509389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).