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

C14H19Br — CID 70911699

IUPAC1-bromo-4-(2-cyclohexylethyl)benzene
SMILESBrc1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C14H19Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h8-12H,1-7H2
InChIKeyPNCPVOSOYYYMRG-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.96
Rot. Bonds3

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

1-bromo-4-(2-cyclohexylethyl)benzene (PubChem CID 70911699) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-bromo-4-(2-cyclohexylethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-cyclohexylethyl)benzene
PubChem CID70911699
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-bromo-4-(2-cyclohexylethyl)benzene
SMILESBrc1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C14H19Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h8-12H,1-7H2
InChIKeyPNCPVOSOYYYMRG-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
2-phenylethylcyclooctane
CID 54073487
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-bromo-4-(2-bromo-4-cyclohexylbutyl)benzene
CID 63542059
2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
CID 67980476
4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol
CID 19863175
2-bromo-4-[4-(2-cyclohexylethyl)phenyl]-1-methoxybenzene
CID 173349803
1-bromo-4-(2-cyclobutylethoxymethyl)benzene
CID 106203728
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-cyclohexylethyl)benzene?
The IUPAC name of 1-bromo-4-(2-cyclohexylethyl)benzene (CID 70911699) is 1-bromo-4-(2-cyclohexylethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-cyclohexylethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-cyclohexylethyl)benzene is Brc1ccc(CCC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-(2-cyclohexylethyl)benzene?
The InChIKey is PNCPVOSOYYYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h8-12H,1-7H2.
What are the key properties of 1-bromo-4-(2-cyclohexylethyl)benzene?
1-bromo-4-(2-cyclohexylethyl)benzene has a molecular weight of 267.21 g/mol, XLogP of 4.96, 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-cyclohexylethyl)benzene is sourced from PubChem (CID 70911699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).