(3R)-3-diphenylphosphorylcyclohexan-1-one

C18H19O2P — CID 102126309

IUPAC(3R)-3-diphenylphosphorylcyclohexan-1-one
SMILESO=C1CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19O2P/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1
InChIKeyAMCKLESLKUEHLL-GOSISDBHSA-N
MW298.32 g/mol
LogP3.51
Rot. Bonds3

About (3R)-3-diphenylphosphorylcyclohexan-1-one

(3R)-3-diphenylphosphorylcyclohexan-1-one (PubChem CID 102126309) has the molecular formula C18H19O2P and a molecular weight of 298.32 g/mol. Its IUPAC name is (3R)-3-diphenylphosphorylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-diphenylphosphorylcyclohexan-1-one
PubChem CID102126309
Molecular FormulaC18H19O2P
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(3R)-3-diphenylphosphorylcyclohexan-1-one
SMILESO=C1CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H19O2P/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1
InChIKeyAMCKLESLKUEHLL-GOSISDBHSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-phenylcyclohexan-1-one
CID 11041212
2-[2-(3-oxocyclohexyl)phenyl]acetic acid
CID 115038843
1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
CID 102203272
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)cyclohexan-1-one
CID 71259180
3,4-diphenylcycloheptan-1-one;ethane
CID 123156806
3-ditert-butylphosphorylcycloheptan-1-one
CID 101487440
2-diphenylphosphorylpyrrolidine
CID 11097633
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
2-(3-oxocyclohexyl)benzaldehyde
CID 115022556
2-(3-oxocyclohexyl)-2-phenylacetaldehyde
CID 87427545
3-(2,6-dimethylphenyl)cyclohexan-1-one
CID 24723962
1-[cyclohexyl-(4-fluorophenyl)phosphoryl]-4-fluorobenzene
CID 178181669

Frequently Asked Questions

What is the IUPAC name of (3R)-3-diphenylphosphorylcyclohexan-1-one?
The IUPAC name of (3R)-3-diphenylphosphorylcyclohexan-1-one (CID 102126309) is (3R)-3-diphenylphosphorylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-diphenylphosphorylcyclohexan-1-one?
The canonical SMILES for (3R)-3-diphenylphosphorylcyclohexan-1-one is O=C1CCC[C@@H](P(=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-3-diphenylphosphorylcyclohexan-1-one?
The InChIKey is AMCKLESLKUEHLL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19O2P/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2/t18-/m1/s1.
What are the key properties of (3R)-3-diphenylphosphorylcyclohexan-1-one?
(3R)-3-diphenylphosphorylcyclohexan-1-one has a molecular weight of 298.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-diphenylphosphorylcyclohexan-1-one is sourced from PubChem (CID 102126309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).