4-(2-chlorophenyl)-1-methylcyclohexan-1-ol

C13H17ClO — CID 173109807

IUPAC4-(2-chlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClO/c1-13(15)8-6-10(7-9-13)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyIQUKHXFJFOPOAI-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.75
Rot. Bonds1

About 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol

4-(2-chlorophenyl)-1-methylcyclohexan-1-ol (PubChem CID 173109807) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-methylcyclohexan-1-ol
PubChem CID173109807
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name4-(2-chlorophenyl)-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(c2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClO/c1-13(15)8-6-10(7-9-13)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3
InChIKeyIQUKHXFJFOPOAI-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol (CID 173109807) is 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol is CC1(O)CCC(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol?
The InChIKey is IQUKHXFJFOPOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-13(15)8-6-10(7-9-13)11-4-2-3-5-12(11)14/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol?
4-(2-chlorophenyl)-1-methylcyclohexan-1-ol has a molecular weight of 224.73 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 173109807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).