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

C19H21OP — CID 154719570

IUPAC[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCC(=C=CP(=O)(c1ccccc1)c1ccccc1)CC
InChIInChI=1S/C19H21OP/c1-3-17(4-2)15-16-21(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16H,3-4H2,1-2H3
InChIKeyINMAONNCWGZPQE-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.86
Rot. Bonds5

About [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene

[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene (PubChem CID 154719570) has the molecular formula C19H21OP and a molecular weight of 296.35 g/mol. Its IUPAC name is [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
PubChem CID154719570
Molecular FormulaC19H21OP
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCC(=C=CP(=O)(c1ccccc1)c1ccccc1)CC
InChIInChI=1S/C19H21OP/c1-3-17(4-2)15-16-21(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16H,3-4H2,1-2H3
InChIKeyINMAONNCWGZPQE-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.86
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

[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316
[octa-1,2-dienyl(phenyl)phosphoryl]benzene
CID 25111722
(E)-2-diphenylphosphoryl-N,N-diethylethenamine
CID 13215077
(1-diphenylphosphoryl-3-ethylhexa-1,3-dien-2-yl)benzene
CID 135002903
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
[ethyl-[(2E)-penta-2,4-dien-2-yl]phosphoryl]benzene
CID 144725458
(E)-5-[methyl(phenyl)phosphoryl]hept-4-en-3-one
CID 23413324
[[(1E)-2,5-dimethylhexa-1,5-dien-3-ynyl]-phenylphosphoryl]benzene
CID 11055886
(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
CID 10063472
[(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
[but-1-enyl(phenyl)phosphoryl]benzene
CID 177466990

Frequently Asked Questions

What is the IUPAC name of [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The IUPAC name of [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene (CID 154719570) is [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene is CCC(=C=CP(=O)(c1ccccc1)c1ccccc1)CC.
What is the InChIKey of [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The InChIKey is INMAONNCWGZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21OP/c1-3-17(4-2)15-16-21(20,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16H,3-4H2,1-2H3.
What are the key properties of [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene has a molecular weight of 296.35 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 154719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).