cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone

C27H28O3 — CID 175464562

IUPACcyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H12O2.C13H16O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H;1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyVDGUJZMHTSTLGZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.05
Rot. Bonds5

About cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone

cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone (PubChem CID 175464562) has the molecular formula C27H28O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Namecyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
PubChem CID175464562
Molecular FormulaC27H28O3
Molecular Weight400.52 g/mol
Exact Mass400.20
IUPAC Namecyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H12O2.C13H16O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H;1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyVDGUJZMHTSTLGZ-UHFFFAOYSA-N
XLogP6.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
2-hydroxy-1,2-diphenylethanone
CID 159399559
cyclobutyl(phenyl)methanol;cyclobutyl(phenyl)methanone
CID 165038492
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(1-hydroxycyclohexyl)-phenylmethanone;2-hydroxy-1,2-diphenylethanone
CID 155168101

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone (CID 175464562) is cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone is O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone?
The InChIKey is VDGUJZMHTSTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C13H16O/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H;1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone?
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone has a molecular weight of 400.52 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 175464562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).