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

C13H16O — CID 14549255

IUPAC4-(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3
InChIKeyXDHMORMQXOUOHT-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.22
Rot. Bonds1

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

4-(4-methylphenyl)cyclohexan-1-one (PubChem CID 14549255) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-methylphenyl)cyclohexan-1-one
PubChem CID14549255
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-(4-methylphenyl)cyclohexan-1-one
SMILESCc1ccc(C2CCC(=O)CC2)cc1
InChIInChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3
InChIKeyXDHMORMQXOUOHT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-methylphenyl)cyclohexan-1-one (CID 14549255) is 4-(4-methylphenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-methylphenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-methylphenyl)cyclohexan-1-one is Cc1ccc(C2CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)cyclohexan-1-one?
The InChIKey is XDHMORMQXOUOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)cyclohexan-1-one?
4-(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 4-(4-methylphenyl)cyclohexan-1-one is sourced from PubChem (CID 14549255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).