[cyclohexylmethyl(phenyl)phosphoryl]benzene

C19H23OP — CID 11120069

IUPAC[cyclohexylmethyl(phenyl)phosphoryl]benzene
SMILESO=P(CC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2
InChIKeyQQHUOKKEUREIGY-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.58
Rot. Bonds4

About [cyclohexylmethyl(phenyl)phosphoryl]benzene

[cyclohexylmethyl(phenyl)phosphoryl]benzene (PubChem CID 11120069) has the molecular formula C19H23OP and a molecular weight of 298.37 g/mol. Its IUPAC name is [cyclohexylmethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[cyclohexylmethyl(phenyl)phosphoryl]benzene
PubChem CID11120069
Molecular FormulaC19H23OP
Molecular Weight298.37 g/mol
Exact Mass298.15
IUPAC Name[cyclohexylmethyl(phenyl)phosphoryl]benzene
SMILESO=P(CC1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2
InChIKeyQQHUOKKEUREIGY-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.58
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

[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
cyclohexylmethylphosphonic acid;hydrate
CID 70153007
2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
CID 18472816
(2R)-1-cyclohexyl-N-diphenylphosphorylpentan-2-amine
CID 134926251
potassium;cyclohexylmethylphosphonic acid;hydride
CID 173417626
[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene
CID 57014590
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
3-(2-diphenylphosphorylethyl)-7-oxabicyclo[4.1.0]heptane
CID 89400452
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250

Frequently Asked Questions

What is the IUPAC name of [cyclohexylmethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [cyclohexylmethyl(phenyl)phosphoryl]benzene (CID 11120069) is [cyclohexylmethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [cyclohexylmethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [cyclohexylmethyl(phenyl)phosphoryl]benzene is O=P(CC1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [cyclohexylmethyl(phenyl)phosphoryl]benzene?
The InChIKey is QQHUOKKEUREIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h2-3,6-9,12-15,17H,1,4-5,10-11,16H2.
What are the key properties of [cyclohexylmethyl(phenyl)phosphoryl]benzene?
[cyclohexylmethyl(phenyl)phosphoryl]benzene has a molecular weight of 298.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexylmethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 11120069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).