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

C18H19Br — CID 156557060

IUPAC1-bromo-4-(2-cyclohexylphenyl)benzene
SMILESBrc1ccc(-c2ccccc2C2CCCCC2)cc1
InChIInChI=1S/C18H19Br/c19-16-12-10-15(11-13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2
InChIKeyVRBOCOIRXVFGMP-UHFFFAOYSA-N
MW315.25 g/mol
LogP6.16
Rot. Bonds2

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

1-bromo-4-(2-cyclohexylphenyl)benzene (PubChem CID 156557060) has the molecular formula C18H19Br and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-bromo-4-(2-cyclohexylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-cyclohexylphenyl)benzene
PubChem CID156557060
Molecular FormulaC18H19Br
Molecular Weight315.25 g/mol
Exact Mass314.07
IUPAC Name1-bromo-4-(2-cyclohexylphenyl)benzene
SMILESBrc1ccc(-c2ccccc2C2CCCCC2)cc1
InChIInChI=1S/C18H19Br/c19-16-12-10-15(11-13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2
InChIKeyVRBOCOIRXVFGMP-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 56.16
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-cyclohexylphenyl)benzene?
The IUPAC name of 1-bromo-4-(2-cyclohexylphenyl)benzene (CID 156557060) is 1-bromo-4-(2-cyclohexylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-cyclohexylphenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-cyclohexylphenyl)benzene is Brc1ccc(-c2ccccc2C2CCCCC2)cc1.
What is the InChIKey of 1-bromo-4-(2-cyclohexylphenyl)benzene?
The InChIKey is VRBOCOIRXVFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br/c19-16-12-10-15(11-13-16)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2.
What are the key properties of 1-bromo-4-(2-cyclohexylphenyl)benzene?
1-bromo-4-(2-cyclohexylphenyl)benzene has a molecular weight of 315.25 g/mol, XLogP of 6.16, 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-cyclohexylphenyl)benzene is sourced from PubChem (CID 156557060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).