1,4-dichloro-2-cyclohexylbenzene

C12H14Cl2 — CID 13097144

IUPAC1,4-dichloro-2-cyclohexylbenzene
SMILESClc1ccc(Cl)c(C2CCCCC2)c1
InChIInChI=1S/C12H14Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyBFGDCPOTPZOVHM-UHFFFAOYSA-N
MW229.15 g/mol
LogP5.04
Rot. Bonds1

About 1,4-dichloro-2-cyclohexylbenzene

1,4-dichloro-2-cyclohexylbenzene (PubChem CID 13097144) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1,4-dichloro-2-cyclohexylbenzene.

Molecular Properties

Compound Name1,4-dichloro-2-cyclohexylbenzene
PubChem CID13097144
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1,4-dichloro-2-cyclohexylbenzene
SMILESClc1ccc(Cl)c(C2CCCCC2)c1
InChIInChI=1S/C12H14Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyBFGDCPOTPZOVHM-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.15
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-cyclohexylbenzene?
The IUPAC name of 1,4-dichloro-2-cyclohexylbenzene (CID 13097144) is 1,4-dichloro-2-cyclohexylbenzene.
What is the SMILES notation for 1,4-dichloro-2-cyclohexylbenzene?
The canonical SMILES for 1,4-dichloro-2-cyclohexylbenzene is Clc1ccc(Cl)c(C2CCCCC2)c1.
What is the InChIKey of 1,4-dichloro-2-cyclohexylbenzene?
The InChIKey is BFGDCPOTPZOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 1,4-dichloro-2-cyclohexylbenzene?
1,4-dichloro-2-cyclohexylbenzene has a molecular weight of 229.15 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-cyclohexylbenzene is sourced from PubChem (CID 13097144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).