1-(chloromethoxy)-4-cyclohexylbenzene

C13H17ClO — CID 166607753

IUPAC1-(chloromethoxy)-4-cyclohexylbenzene
SMILESClCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H17ClO/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyXFSRHLUBDJTWKW-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.31
Rot. Bonds3

About 1-(chloromethoxy)-4-cyclohexylbenzene

1-(chloromethoxy)-4-cyclohexylbenzene (PubChem CID 166607753) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(chloromethoxy)-4-cyclohexylbenzene.

Molecular Properties

Compound Name1-(chloromethoxy)-4-cyclohexylbenzene
PubChem CID166607753
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-(chloromethoxy)-4-cyclohexylbenzene
SMILESClCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C13H17ClO/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyXFSRHLUBDJTWKW-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(chloromethoxy)-4-cyclohexylbenzene?
The IUPAC name of 1-(chloromethoxy)-4-cyclohexylbenzene (CID 166607753) is 1-(chloromethoxy)-4-cyclohexylbenzene.
What is the SMILES notation for 1-(chloromethoxy)-4-cyclohexylbenzene?
The canonical SMILES for 1-(chloromethoxy)-4-cyclohexylbenzene is ClCOc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(chloromethoxy)-4-cyclohexylbenzene?
The InChIKey is XFSRHLUBDJTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c14-10-15-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 1-(chloromethoxy)-4-cyclohexylbenzene?
1-(chloromethoxy)-4-cyclohexylbenzene has a molecular weight of 224.73 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-4-cyclohexylbenzene is sourced from PubChem (CID 166607753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).