4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene

C15H20Br2O — CID 63435537

IUPAC4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Br)CCC1CCCC1
InChIInChI=1S/C15H20Br2O/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11,14H,2-6,8H2,1H3
InChIKeyAIUCOPDDIZUCOJ-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.86
Rot. Bonds5

About 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene

4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene (PubChem CID 63435537) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
PubChem CID63435537
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Br)CCC1CCCC1
InChIInChI=1S/C15H20Br2O/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11,14H,2-6,8H2,1H3
InChIKeyAIUCOPDDIZUCOJ-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene 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

4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
CID 63442742
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
CID 55200090
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
4-bromo-2-(1-bromo-3,3-dimethylbutyl)-1-methoxybenzene
CID 63435538
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
4-bromo-2-(1-bromo-2-cyclopropylpropyl)-1-methoxybenzene
CID 83148078
4-bromo-2-(1-bromo-3,4,4-trimethylpentyl)-1-methoxybenzene
CID 63832446
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
4-bromo-2-[(4-butylcyclohexyl)-chloromethyl]-1-methoxybenzene
CID 63427364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene (CID 63435537) is 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene is COc1ccc(Br)cc1C(Br)CCC1CCCC1.
What is the InChIKey of 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene?
The InChIKey is AIUCOPDDIZUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-18-15-9-7-12(16)10-13(15)14(17)8-6-11-4-2-3-5-11/h7,9-11,14H,2-6,8H2,1H3.
What are the key properties of 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene?
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene has a molecular weight of 376.13 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene is sourced from PubChem (CID 63435537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).