[1-cyclohexylethyl(phenyl)phosphoryl]benzene

C20H25OP — CID 12705904

IUPAC[1-cyclohexylethyl(phenyl)phosphoryl]benzene
SMILESCC(C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3
InChIKeyQBPGLGJKSGQDKN-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.97
Rot. Bonds4

About [1-cyclohexylethyl(phenyl)phosphoryl]benzene

[1-cyclohexylethyl(phenyl)phosphoryl]benzene (PubChem CID 12705904) has the molecular formula C20H25OP and a molecular weight of 312.39 g/mol. Its IUPAC name is [1-cyclohexylethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[1-cyclohexylethyl(phenyl)phosphoryl]benzene
PubChem CID12705904
Molecular FormulaC20H25OP
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[1-cyclohexylethyl(phenyl)phosphoryl]benzene
SMILESCC(C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3
InChIKeyQBPGLGJKSGQDKN-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-diphenylphosphorylpropan-1-one
CID 10893177
(1S,2S)-1-cyclohexyl-2-diphenylphosphoryl-4-methylpent-3-en-1-ol
CID 98040527
benzene;propan-2-ylcyclohexane
CID 163364158
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
CID 10089710
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069
2-cyclohexylpropylbenzene
CID 15846297
(2R)-1-cyclohexyl-N-diphenylphosphorylpentan-2-amine
CID 134926251

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexylethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [1-cyclohexylethyl(phenyl)phosphoryl]benzene (CID 12705904) is [1-cyclohexylethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [1-cyclohexylethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [1-cyclohexylethyl(phenyl)phosphoryl]benzene is CC(C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-cyclohexylethyl(phenyl)phosphoryl]benzene?
The InChIKey is QBPGLGJKSGQDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3.
What are the key properties of [1-cyclohexylethyl(phenyl)phosphoryl]benzene?
[1-cyclohexylethyl(phenyl)phosphoryl]benzene has a molecular weight of 312.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexylethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 12705904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).