1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene

C14H19Cl — CID 163634029

IUPAC1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene
SMILESCc1cccc(Cl)c1C1CCC(C)CC1
InChIInChI=1S/C14H19Cl/c1-10-6-8-12(9-7-10)14-11(2)4-3-5-13(14)15/h3-5,10,12H,6-9H2,1-2H3
InChIKeyWHFJHVGWYZEIQZ-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.94
Rot. Bonds1

About 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene

1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene (PubChem CID 163634029) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene
PubChem CID163634029
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene
SMILESCc1cccc(Cl)c1C1CCC(C)CC1
InChIInChI=1S/C14H19Cl/c1-10-6-8-12(9-7-10)14-11(2)4-3-5-13(14)15/h3-5,10,12H,6-9H2,1-2H3
InChIKeyWHFJHVGWYZEIQZ-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene (CID 163634029) is 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene is Cc1cccc(Cl)c1C1CCC(C)CC1.
What is the InChIKey of 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene?
The InChIKey is WHFJHVGWYZEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-10-6-8-12(9-7-10)14-11(2)4-3-5-13(14)15/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene?
1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene has a molecular weight of 222.76 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 163634029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).