1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene

C14H18Br2 — CID 82946371

IUPAC1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
SMILESBrCC(c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H18Br2/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,1-5,10H2
InChIKeyRGWYRVHSCWGEQZ-UHFFFAOYSA-N
MW346.11 g/mol
LogP5.51
Rot. Bonds3

About 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene

1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene (PubChem CID 82946371) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
PubChem CID82946371
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
SMILESBrCC(c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H18Br2/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,1-5,10H2
InChIKeyRGWYRVHSCWGEQZ-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.11
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene 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-Bromobiphenyl
CID 7101
3-Bromobiphenyl
CID 16449
Pbb 77
CID 107953
4,4'-Dibromobiphenyl
CID 7110
2,2'-Dibromobiphenyl
CID 83060
3,5-Dibromobiphenyl
CID 3014933
4-Bromobenzyl bromide
CID 68527
2,2',4,4',6,6'-Hexabromobiphenyl
CID 93322
2,4,6-Tribromobiphenyl
CID 92358
2,6-Dibromobiphenyl
CID 181210
3,4-Dibromobiphenyl
CID 181262
2,4-Dibromobiphenyl
CID 185748

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene?
The IUPAC name of 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene (CID 82946371) is 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene is BrCC(c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene?
The InChIKey is RGWYRVHSCWGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,1-5,10H2.
What are the key properties of 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene?
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene has a molecular weight of 346.11 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene is sourced from PubChem (CID 82946371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).