2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one

C13H15ClO2 — CID 14902111

IUPAC2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(O)c1ccccc1Cl
InChIInChI=1S/C13H15ClO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2
InChIKeyWVRIMPACAHKSIW-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.13
Rot. Bonds2

About 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one

2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one (PubChem CID 14902111) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one
PubChem CID14902111
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one
SMILESO=C1CCCCC1C(O)c1ccccc1Cl
InChIInChI=1S/C13H15ClO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2
InChIKeyWVRIMPACAHKSIW-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one 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 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one?
The IUPAC name of 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one (CID 14902111) is 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one is O=C1CCCCC1C(O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one?
The InChIKey is WVRIMPACAHKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1,3,5,7,10,13,16H,2,4,6,8H2.
What are the key properties of 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one?
2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one has a molecular weight of 238.71 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-hydroxymethyl]cyclohexan-1-one is sourced from PubChem (CID 14902111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).