(2R)-2-(4-methylphenyl)cyclohexan-1-one

C13H16O — CID 11030573

IUPAC(2R)-2-(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc([C@H]2CCCCC2=O)cc1
InChIInChI=1S/C13H16O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyFDTZSXIAYAGOMF-GFCCVEGCSA-N
MW188.27 g/mol
LogP3.22
Rot. Bonds1

About (2R)-2-(4-methylphenyl)cyclohexan-1-one

(2R)-2-(4-methylphenyl)cyclohexan-1-one (PubChem CID 11030573) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)cyclohexan-1-one
PubChem CID11030573
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2R)-2-(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc([C@H]2CCCCC2=O)cc1
InChIInChI=1S/C13H16O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyFDTZSXIAYAGOMF-GFCCVEGCSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(4-methylphenyl)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 (2R)-2-(4-methylphenyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-(4-methylphenyl)cyclohexan-1-one (CID 11030573) is (2R)-2-(4-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(4-methylphenyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(4-methylphenyl)cyclohexan-1-one is Cc1ccc([C@H]2CCCCC2=O)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)cyclohexan-1-one?
The InChIKey is FDTZSXIAYAGOMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16O/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9,12H,2-5H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)cyclohexan-1-one?
(2R)-2-(4-methylphenyl)cyclohexan-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 11030573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).