1-(chloromethyl)-2-ethoxycyclohexan-1-ol

C9H17ClO2 — CID 140525634

IUPAC1-(chloromethyl)-2-ethoxycyclohexan-1-ol
SMILESCCOC1CCCCC1(O)CCl
InChIInChI=1S/C9H17ClO2/c1-2-12-8-5-3-4-6-9(8,11)7-10/h8,11H,2-7H2,1H3
InChIKeyPSUPLMOALPCVSK-UHFFFAOYSA-N
MW192.69 g/mol
LogP1.94
Rot. Bonds3

About 1-(chloromethyl)-2-ethoxycyclohexan-1-ol

1-(chloromethyl)-2-ethoxycyclohexan-1-ol (PubChem CID 140525634) has the molecular formula C9H17ClO2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-(chloromethyl)-2-ethoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(chloromethyl)-2-ethoxycyclohexan-1-ol
PubChem CID140525634
Molecular FormulaC9H17ClO2
Molecular Weight192.69 g/mol
Exact Mass192.09
IUPAC Name1-(chloromethyl)-2-ethoxycyclohexan-1-ol
SMILESCCOC1CCCCC1(O)CCl
InChIInChI=1S/C9H17ClO2/c1-2-12-8-5-3-4-6-9(8,11)7-10/h8,11H,2-7H2,1H3
InChIKeyPSUPLMOALPCVSK-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-ethoxycyclohexan-1-ol?
The IUPAC name of 1-(chloromethyl)-2-ethoxycyclohexan-1-ol (CID 140525634) is 1-(chloromethyl)-2-ethoxycyclohexan-1-ol.
What is the SMILES notation for 1-(chloromethyl)-2-ethoxycyclohexan-1-ol?
The canonical SMILES for 1-(chloromethyl)-2-ethoxycyclohexan-1-ol is CCOC1CCCCC1(O)CCl.
What is the InChIKey of 1-(chloromethyl)-2-ethoxycyclohexan-1-ol?
The InChIKey is PSUPLMOALPCVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2/c1-2-12-8-5-3-4-6-9(8,11)7-10/h8,11H,2-7H2,1H3.
What are the key properties of 1-(chloromethyl)-2-ethoxycyclohexan-1-ol?
1-(chloromethyl)-2-ethoxycyclohexan-1-ol has a molecular weight of 192.69 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-ethoxycyclohexan-1-ol is sourced from PubChem (CID 140525634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).