cyclohexyl(phenyl)methanone;molecular hydrogen

C13H18O — CID 143135360

IUPACcyclohexyl(phenyl)methanone;molecular hydrogen
SMILESO=C(c1ccccc1)C1CCCCC1.[H][H]
InChIInChI=1S/C13H16O.H2/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;1H
InChIKeyPFOSOXRVOKBGMJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.70
Rot. Bonds2

About cyclohexyl(phenyl)methanone;molecular hydrogen

cyclohexyl(phenyl)methanone;molecular hydrogen (PubChem CID 143135360) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is cyclohexyl(phenyl)methanone;molecular hydrogen.

Molecular Properties

Compound Namecyclohexyl(phenyl)methanone;molecular hydrogen
PubChem CID143135360
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Namecyclohexyl(phenyl)methanone;molecular hydrogen
SMILESO=C(c1ccccc1)C1CCCCC1.[H][H]
InChIInChI=1S/C13H16O.H2/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;1H
InChIKeyPFOSOXRVOKBGMJ-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
2-[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139730836
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one
CID 102024736
2-[4-(cyclopentanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731368
cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
CID 159892140
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phenyl)methanone;molecular hydrogen?
The IUPAC name of cyclohexyl(phenyl)methanone;molecular hydrogen (CID 143135360) is cyclohexyl(phenyl)methanone;molecular hydrogen.
What is the SMILES notation for cyclohexyl(phenyl)methanone;molecular hydrogen?
The canonical SMILES for cyclohexyl(phenyl)methanone;molecular hydrogen is O=C(c1ccccc1)C1CCCCC1.[H][H].
What is the InChIKey of cyclohexyl(phenyl)methanone;molecular hydrogen?
The InChIKey is PFOSOXRVOKBGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.H2/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;1H.
What are the key properties of cyclohexyl(phenyl)methanone;molecular hydrogen?
cyclohexyl(phenyl)methanone;molecular hydrogen has a molecular weight of 190.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phenyl)methanone;molecular hydrogen is sourced from PubChem (CID 143135360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).