[octa-1,2-dienyl(phenyl)phosphoryl]benzene

C20H23OP — CID 25111722

IUPAC[octa-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCCCCC=C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,2-5H2,1H3
InChIKeyXFQOJSWKFMXKES-UHFFFAOYSA-N
MW310.38 g/mol
LogP5.25
Rot. Bonds7

About [octa-1,2-dienyl(phenyl)phosphoryl]benzene

[octa-1,2-dienyl(phenyl)phosphoryl]benzene (PubChem CID 25111722) has the molecular formula C20H23OP and a molecular weight of 310.38 g/mol. Its IUPAC name is [octa-1,2-dienyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[octa-1,2-dienyl(phenyl)phosphoryl]benzene
PubChem CID25111722
Molecular FormulaC20H23OP
Molecular Weight310.38 g/mol
Exact Mass310.15
IUPAC Name[octa-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCCCCC=C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,2-5H2,1H3
InChIKeyXFQOJSWKFMXKES-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octa-1,2-dienylbenzene
CID 12066892
trideca-1,2-dienylbenzene
CID 12769944
[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 154719570
(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316
2-phenyldeca-3,4-dien-2-ol
CID 10988074
pentacosa-12,13-diene
CID 174365678
hepta-1,2-dienylsulfinylbenzene
CID 11470056
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
octadeca-5,6-diene
CID 141110817
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268

Frequently Asked Questions

What is the IUPAC name of [octa-1,2-dienyl(phenyl)phosphoryl]benzene?
The IUPAC name of [octa-1,2-dienyl(phenyl)phosphoryl]benzene (CID 25111722) is [octa-1,2-dienyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [octa-1,2-dienyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [octa-1,2-dienyl(phenyl)phosphoryl]benzene is CCCCCC=C=CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [octa-1,2-dienyl(phenyl)phosphoryl]benzene?
The InChIKey is XFQOJSWKFMXKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23OP/c1-2-3-4-5-6-13-18-22(21,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-18H,2-5H2,1H3.
What are the key properties of [octa-1,2-dienyl(phenyl)phosphoryl]benzene?
[octa-1,2-dienyl(phenyl)phosphoryl]benzene has a molecular weight of 310.38 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [octa-1,2-dienyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 25111722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).