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

C14H17Br — CID 170694986

IUPAC1-bromo-4-(2-cyclohexylethenyl)benzene
SMILESBrc1ccc(C=CC2CCCCC2)cc1
InChIInChI=1S/C14H17Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyGDJPTYVHTUNDLY-UHFFFAOYSA-N
MW265.19 g/mol
LogP5.04
Rot. Bonds2

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

1-bromo-4-(2-cyclohexylethenyl)benzene (PubChem CID 170694986) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-bromo-4-(2-cyclohexylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-cyclohexylethenyl)benzene
PubChem CID170694986
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name1-bromo-4-(2-cyclohexylethenyl)benzene
SMILESBrc1ccc(C=CC2CCCCC2)cc1
InChIInChI=1S/C14H17Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKeyGDJPTYVHTUNDLY-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-cyclohexylethenyl)benzene?
The IUPAC name of 1-bromo-4-(2-cyclohexylethenyl)benzene (CID 170694986) is 1-bromo-4-(2-cyclohexylethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-cyclohexylethenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-cyclohexylethenyl)benzene is Brc1ccc(C=CC2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-(2-cyclohexylethenyl)benzene?
The InChIKey is GDJPTYVHTUNDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h6-12H,1-5H2.
What are the key properties of 1-bromo-4-(2-cyclohexylethenyl)benzene?
1-bromo-4-(2-cyclohexylethenyl)benzene has a molecular weight of 265.19 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-cyclohexylethenyl)benzene is sourced from PubChem (CID 170694986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).