1,2-dichloro-3-cyclohexylbenzene

C12H14Cl2 — CID 3042265

IUPAC1,2-dichloro-3-cyclohexylbenzene
SMILESClc1cccc(C2CCCCC2)c1Cl
InChIInChI=1S/C12H14Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyHNBHQJKIADDNFP-UHFFFAOYSA-N
MW229.15 g/mol
LogP5.04
Rot. Bonds1

About 1,2-dichloro-3-cyclohexylbenzene

1,2-dichloro-3-cyclohexylbenzene (PubChem CID 3042265) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1,2-dichloro-3-cyclohexylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-cyclohexylbenzene
PubChem CID3042265
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1,2-dichloro-3-cyclohexylbenzene
SMILESClc1cccc(C2CCCCC2)c1Cl
InChIInChI=1S/C12H14Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyHNBHQJKIADDNFP-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 1,2-dichloro-3-cyclohexylbenzene?
The IUPAC name of 1,2-dichloro-3-cyclohexylbenzene (CID 3042265) is 1,2-dichloro-3-cyclohexylbenzene.
What is the SMILES notation for 1,2-dichloro-3-cyclohexylbenzene?
The canonical SMILES for 1,2-dichloro-3-cyclohexylbenzene is Clc1cccc(C2CCCCC2)c1Cl.
What is the InChIKey of 1,2-dichloro-3-cyclohexylbenzene?
The InChIKey is HNBHQJKIADDNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 1,2-dichloro-3-cyclohexylbenzene?
1,2-dichloro-3-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 1,2-dichloro-3-cyclohexylbenzene is sourced from PubChem (CID 3042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).