1-diphenylphosphorylethylbenzene

C20H19OP — CID 10892124

IUPAC1-diphenylphosphorylethylbenzene
SMILESCC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyVNPQHNXDEIAFKT-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.76
Rot. Bonds4

About 1-diphenylphosphorylethylbenzene

1-diphenylphosphorylethylbenzene (PubChem CID 10892124) has the molecular formula C20H19OP and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-diphenylphosphorylethylbenzene.

Molecular Properties

Compound Name1-diphenylphosphorylethylbenzene
PubChem CID10892124
Molecular FormulaC20H19OP
Molecular Weight306.35 g/mol
Exact Mass306.12
IUPAC Name1-diphenylphosphorylethylbenzene
SMILESCC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyVNPQHNXDEIAFKT-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.76
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 1-diphenylphosphorylethylbenzene?
The IUPAC name of 1-diphenylphosphorylethylbenzene (CID 10892124) is 1-diphenylphosphorylethylbenzene.
What is the SMILES notation for 1-diphenylphosphorylethylbenzene?
The canonical SMILES for 1-diphenylphosphorylethylbenzene is CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphorylethylbenzene?
The InChIKey is VNPQHNXDEIAFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OP/c1-17(18-11-5-2-6-12-18)22(21,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of 1-diphenylphosphorylethylbenzene?
1-diphenylphosphorylethylbenzene has a molecular weight of 306.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylethylbenzene is sourced from PubChem (CID 10892124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).