4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene

C19H20BrCl — CID 123676769

IUPAC4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
SMILESClc1ccc(Br)cc1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20BrCl/c20-18-10-11-19(21)17(13-18)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2
InChIKeyDTKICDUIRFNZNS-UHFFFAOYSA-N
MW363.73 g/mol
LogP6.74
Rot. Bonds3

About 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene

4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene (PubChem CID 123676769) has the molecular formula C19H20BrCl and a molecular weight of 363.73 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
PubChem CID123676769
Molecular FormulaC19H20BrCl
Molecular Weight363.73 g/mol
Exact Mass362.04
IUPAC Name4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene
SMILESClc1ccc(Br)cc1Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H20BrCl/c20-18-10-11-19(21)17(13-18)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2
InChIKeyDTKICDUIRFNZNS-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.73
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene (CID 123676769) is 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene is Clc1ccc(Br)cc1Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene?
The InChIKey is DTKICDUIRFNZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl/c20-18-10-11-19(21)17(13-18)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h6-11,13,15H,1-5,12H2.
What are the key properties of 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene?
4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene has a molecular weight of 363.73 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[(4-cyclohexylphenyl)methyl]benzene is sourced from PubChem (CID 123676769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).