[but-1-enyl(phenyl)phosphoryl]benzene

C16H16OP- — CID 177466990

IUPAC[but-1-enyl(phenyl)phosphoryl]benzene
SMILESC[CH-]C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H3/q-1
InChIKeyJUPMVGLQBFGAMF-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.74
Rot. Bonds4

About [but-1-enyl(phenyl)phosphoryl]benzene

[but-1-enyl(phenyl)phosphoryl]benzene (PubChem CID 177466990) has the molecular formula C16H16OP- and a molecular weight of 255.28 g/mol. Its IUPAC name is [but-1-enyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[but-1-enyl(phenyl)phosphoryl]benzene
PubChem CID177466990
Molecular FormulaC16H16OP-
Molecular Weight255.28 g/mol
Exact Mass255.09
IUPAC Name[but-1-enyl(phenyl)phosphoryl]benzene
SMILESC[CH-]C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H3/q-1
InChIKeyJUPMVGLQBFGAMF-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
CID 71360809
(E)-2-diphenylphosphoryl-N,N-diethylethenamine
CID 13215077
N-butyl-N-[(E)-3-diphenylphosphorylprop-2-enyl]butan-1-amine
CID 10970672
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
tert-butylbenzene;diphenylphosphorylformaldehyde
CID 174403578
3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde
CID 146161801
dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
CID 139088086
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
[(E)-1-diphenylphosphorylprop-1-en-2-yl]-diphenyl-sulfanylidene-λ5-phosphane
CID 54762904
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
CID 91998631

Frequently Asked Questions

What is the IUPAC name of [but-1-enyl(phenyl)phosphoryl]benzene?
The IUPAC name of [but-1-enyl(phenyl)phosphoryl]benzene (CID 177466990) is [but-1-enyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [but-1-enyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [but-1-enyl(phenyl)phosphoryl]benzene is C[CH-]C=CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [but-1-enyl(phenyl)phosphoryl]benzene?
The InChIKey is JUPMVGLQBFGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OP/c1-2-3-14-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-14H,1H3/q-1.
What are the key properties of [but-1-enyl(phenyl)phosphoryl]benzene?
[but-1-enyl(phenyl)phosphoryl]benzene has a molecular weight of 255.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [but-1-enyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 177466990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).