1-(chloromethoxy)-3-methoxycyclohexane

C8H15ClO2 — CID 79529091

IUPAC1-(chloromethoxy)-3-methoxycyclohexane
SMILESCOC1CCCC(OCCl)C1
InChIInChI=1S/C8H15ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h7-8H,2-6H2,1H3
InChIKeyRNXQMEWNKNBDBG-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.16
Rot. Bonds3

About 1-(chloromethoxy)-3-methoxycyclohexane

1-(chloromethoxy)-3-methoxycyclohexane (PubChem CID 79529091) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-(chloromethoxy)-3-methoxycyclohexane.

Molecular Properties

Compound Name1-(chloromethoxy)-3-methoxycyclohexane
PubChem CID79529091
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name1-(chloromethoxy)-3-methoxycyclohexane
SMILESCOC1CCCC(OCCl)C1
InChIInChI=1S/C8H15ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h7-8H,2-6H2,1H3
InChIKeyRNXQMEWNKNBDBG-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethoxy)-3-methoxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-3-methoxycyclohexane?
The IUPAC name of 1-(chloromethoxy)-3-methoxycyclohexane (CID 79529091) is 1-(chloromethoxy)-3-methoxycyclohexane.
What is the SMILES notation for 1-(chloromethoxy)-3-methoxycyclohexane?
The canonical SMILES for 1-(chloromethoxy)-3-methoxycyclohexane is COC1CCCC(OCCl)C1.
What is the InChIKey of 1-(chloromethoxy)-3-methoxycyclohexane?
The InChIKey is RNXQMEWNKNBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-(chloromethoxy)-3-methoxycyclohexane?
1-(chloromethoxy)-3-methoxycyclohexane has a molecular weight of 178.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-3-methoxycyclohexane is sourced from PubChem (CID 79529091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).