4-benzoyl-3-phenylcyclohexan-1-one

C19H18O2 — CID 14273389

IUPAC4-benzoyl-3-phenylcyclohexan-1-one
SMILESO=C1CCC(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H18O2/c20-16-11-12-17(19(21)15-9-5-2-6-10-15)18(13-16)14-7-3-1-4-8-14/h1-10,17-18H,11-13H2
InChIKeyKPPXZNYMXBFLMM-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.02
Rot. Bonds3

About 4-benzoyl-3-phenylcyclohexan-1-one

4-benzoyl-3-phenylcyclohexan-1-one (PubChem CID 14273389) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-benzoyl-3-phenylcyclohexan-1-one.

Molecular Properties

Compound Name4-benzoyl-3-phenylcyclohexan-1-one
PubChem CID14273389
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name4-benzoyl-3-phenylcyclohexan-1-one
SMILESO=C1CCC(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H18O2/c20-16-11-12-17(19(21)15-9-5-2-6-10-15)18(13-16)14-7-3-1-4-8-14/h1-10,17-18H,11-13H2
InChIKeyKPPXZNYMXBFLMM-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-4-phenylcyclopentan-1-one
CID 71733706
2-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 67124504
2-(4-bromophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77284529
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
methyl 4-(2-benzoyl-5-oxo-3-phenylcyclohexyl)benzoate
CID 102526827
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806
phenyl-(2-phenyloxolan-3-yl)methanone
CID 73097073
5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
(4-ethylphenyl)-(2-phenylcyclohexyl)methanone
CID 144802014
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-3-phenylcyclohexan-1-one?
The IUPAC name of 4-benzoyl-3-phenylcyclohexan-1-one (CID 14273389) is 4-benzoyl-3-phenylcyclohexan-1-one.
What is the SMILES notation for 4-benzoyl-3-phenylcyclohexan-1-one?
The canonical SMILES for 4-benzoyl-3-phenylcyclohexan-1-one is O=C1CCC(C(=O)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 4-benzoyl-3-phenylcyclohexan-1-one?
The InChIKey is KPPXZNYMXBFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-16-11-12-17(19(21)15-9-5-2-6-10-15)18(13-16)14-7-3-1-4-8-14/h1-10,17-18H,11-13H2.
What are the key properties of 4-benzoyl-3-phenylcyclohexan-1-one?
4-benzoyl-3-phenylcyclohexan-1-one has a molecular weight of 278.35 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-3-phenylcyclohexan-1-one is sourced from PubChem (CID 14273389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).