1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene

C20H22BrCl — CID 23364861

IUPAC1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
SMILESClc1ccc(-c2ccc(C3CCC(CCBr)CC3)cc2)cc1
InChIInChI=1S/C20H22BrCl/c21-14-13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-20(22)12-10-19/h5-12,15-16H,1-4,13-14H2
InChIKeyNDCZNMAVNDFBGH-UHFFFAOYSA-N
MW377.75 g/mol
LogP7.07
Rot. Bonds4

About 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene

1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene (PubChem CID 23364861) has the molecular formula C20H22BrCl and a molecular weight of 377.75 g/mol. Its IUPAC name is 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene.

Molecular Properties

Compound Name1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
PubChem CID23364861
Molecular FormulaC20H22BrCl
Molecular Weight377.75 g/mol
Exact Mass376.06
IUPAC Name1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
SMILESClc1ccc(-c2ccc(C3CCC(CCBr)CC3)cc2)cc1
InChIInChI=1S/C20H22BrCl/c21-14-13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-20(22)12-10-19/h5-12,15-16H,1-4,13-14H2
InChIKeyNDCZNMAVNDFBGH-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)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

1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-[4-[(E)-but-2-enyl]cyclohexyl]-4-(4-chlorophenyl)benzene
CID 67569865
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
4-[4-(2-bromoethyl)cyclohexyl]-1-[chloro(difluoro)methyl]-2-fluorobenzene
CID 22913654
2-[2-[4-(4-chlorophenyl)cyclohexyl]ethyl]pyrimidine
CID 174329947
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
2-(4-chlorophenyl)-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-oxadiazole
CID 3095305
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene?
The IUPAC name of 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene (CID 23364861) is 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene.
What is the SMILES notation for 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene?
The canonical SMILES for 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene is Clc1ccc(-c2ccc(C3CCC(CCBr)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene?
The InChIKey is NDCZNMAVNDFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrCl/c21-14-13-15-1-3-16(4-2-15)17-5-7-18(8-6-17)19-9-11-20(22)12-10-19/h5-12,15-16H,1-4,13-14H2.
What are the key properties of 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene?
1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene has a molecular weight of 377.75 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene is sourced from PubChem (CID 23364861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).