4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene

C17H24Br2O — CID 63442742

IUPAC4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)CCC1CCCCC1
InChIInChI=1S/C17H24Br2O/c1-2-20-17-11-9-14(18)12-15(17)16(19)10-8-13-6-4-3-5-7-13/h9,11-13,16H,2-8,10H2,1H3
InChIKeyZRHQVHGWLZRSJE-UHFFFAOYSA-N
MW404.19 g/mol
LogP6.64
Rot. Bonds6

About 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene

4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene (PubChem CID 63442742) has the molecular formula C17H24Br2O and a molecular weight of 404.19 g/mol. Its IUPAC name is 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
PubChem CID63442742
Molecular FormulaC17H24Br2O
Molecular Weight404.19 g/mol
Exact Mass402.02
IUPAC Name4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)CCC1CCCCC1
InChIInChI=1S/C17H24Br2O/c1-2-20-17-11-9-14(18)12-15(17)16(19)10-8-13-6-4-3-5-7-13/h9,11-13,16H,2-8,10H2,1H3
InChIKeyZRHQVHGWLZRSJE-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.19
LogP ≤ 56.64
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-cyclohexylpropyl)-1-ethoxybenzene 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-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
1,4-dibromo-2-(1-bromo-3-cyclopentylpropyl)benzene
CID 55200090
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
4-bromo-2-[bromo(cyclopropyl)methyl]-1-ethoxybenzene
CID 63442485
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
2-bromo-1-(1-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63443780
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
1-(1-bromo-3-cyclohexylpropyl)-2,4-dimethylbenzene
CID 63438485

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene?
The IUPAC name of 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene (CID 63442742) is 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene.
What is the SMILES notation for 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene?
The canonical SMILES for 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene is CCOc1ccc(Br)cc1C(Br)CCC1CCCCC1.
What is the InChIKey of 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene?
The InChIKey is ZRHQVHGWLZRSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Br2O/c1-2-20-17-11-9-14(18)12-15(17)16(19)10-8-13-6-4-3-5-7-13/h9,11-13,16H,2-8,10H2,1H3.
What are the key properties of 4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene?
4-bromo-2-(1-bromo-3-cyclohexylpropyl)-1-ethoxybenzene has a molecular weight of 404.19 g/mol, XLogP of 6.64, 6 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-cyclohexylpropyl)-1-ethoxybenzene is sourced from PubChem (CID 63442742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).