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

C18H19OP — CID 164687316

IUPAC[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCC(C)=C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19OP/c1-3-16(2)14-15-20(19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,3H2,1-2H3
InChIKeyWWGYMWUXHRIMII-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.47
Rot. Bonds4

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

[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene (PubChem CID 164687316) has the molecular formula C18H19OP and a molecular weight of 282.32 g/mol. Its IUPAC name is [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
PubChem CID164687316
Molecular FormulaC18H19OP
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
SMILESCCC(C)=C=CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19OP/c1-3-16(2)14-15-20(19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,3H2,1-2H3
InChIKeyWWGYMWUXHRIMII-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The IUPAC name of [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene (CID 164687316) is [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene is CCC(C)=C=CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
The InChIKey is WWGYMWUXHRIMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19OP/c1-3-16(2)14-15-20(19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15H,3H2,1-2H3.
What are the key properties of [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene?
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene has a molecular weight of 282.32 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 164687316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).