1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene

C13H16BrCl — CID 82094186

IUPAC1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
SMILESClCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H16BrCl/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKeyVXNSTUSQSVMTPH-UHFFFAOYSA-N
MW287.63 g/mol
LogP4.89
Rot. Bonds2

About 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene

1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene (PubChem CID 82094186) has the molecular formula C13H16BrCl and a molecular weight of 287.63 g/mol. Its IUPAC name is 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
PubChem CID82094186
Molecular FormulaC13H16BrCl
Molecular Weight287.63 g/mol
Exact Mass286.01
IUPAC Name1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
SMILESClCC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H16BrCl/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKeyVXNSTUSQSVMTPH-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.63
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
CID 82083786
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
CID 89447294
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene?
The IUPAC name of 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene (CID 82094186) is 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene is ClCC1(c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene?
The InChIKey is VXNSTUSQSVMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-10H2.
What are the key properties of 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene?
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene has a molecular weight of 287.63 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene is sourced from PubChem (CID 82094186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).