1-(chloromethyl)-4-cyclohexylbenzene

C13H17Cl — CID 13343365

IUPAC1-(chloromethyl)-4-cyclohexylbenzene
SMILESClCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyDNEPVPBJDHQGRK-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.47
Rot. Bonds2

About 1-(chloromethyl)-4-cyclohexylbenzene

1-(chloromethyl)-4-cyclohexylbenzene (PubChem CID 13343365) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-(chloromethyl)-4-cyclohexylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-cyclohexylbenzene
PubChem CID13343365
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-(chloromethyl)-4-cyclohexylbenzene
SMILESClCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2
InChIKeyDNEPVPBJDHQGRK-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-cyclohexylbenzene?
The IUPAC name of 1-(chloromethyl)-4-cyclohexylbenzene (CID 13343365) is 1-(chloromethyl)-4-cyclohexylbenzene.
What is the SMILES notation for 1-(chloromethyl)-4-cyclohexylbenzene?
The canonical SMILES for 1-(chloromethyl)-4-cyclohexylbenzene is ClCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-cyclohexylbenzene?
The InChIKey is DNEPVPBJDHQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2.
What are the key properties of 1-(chloromethyl)-4-cyclohexylbenzene?
1-(chloromethyl)-4-cyclohexylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-cyclohexylbenzene is sourced from PubChem (CID 13343365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).