cyclohexyl(phenyl)methanone

C13H16O — CID 12837

IUPACcyclohexyl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyBMFYCFSWWDXEPB-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.45
Rot. Bonds2

About cyclohexyl(phenyl)methanone

cyclohexyl(phenyl)methanone (PubChem CID 12837) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclohexyl(phenyl)methanone.

Molecular Properties

Compound Namecyclohexyl(phenyl)methanone
PubChem CID12837
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecyclohexyl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyBMFYCFSWWDXEPB-UHFFFAOYSA-N
XLogP3.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phenyl)methanone?
The IUPAC name of cyclohexyl(phenyl)methanone (CID 12837) is cyclohexyl(phenyl)methanone.
What is the SMILES notation for cyclohexyl(phenyl)methanone?
The canonical SMILES for cyclohexyl(phenyl)methanone is O=C(c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl(phenyl)methanone?
The InChIKey is BMFYCFSWWDXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of cyclohexyl(phenyl)methanone?
cyclohexyl(phenyl)methanone has a molecular weight of 188.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phenyl)methanone is sourced from PubChem (CID 12837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).