1-[ethoxy(phenyl)phosphoryl]ethenylbenzene

C16H17O2P — CID 11219491

IUPAC1-[ethoxy(phenyl)phosphoryl]ethenylbenzene
SMILESC=C(c1ccccc1)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C16H17O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3
InChIKeyXTXWULYLNOGIJJ-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.30
Rot. Bonds5

About 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene

1-[ethoxy(phenyl)phosphoryl]ethenylbenzene (PubChem CID 11219491) has the molecular formula C16H17O2P and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]ethenylbenzene
PubChem CID11219491
Molecular FormulaC16H17O2P
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name1-[ethoxy(phenyl)phosphoryl]ethenylbenzene
SMILESC=C(c1ccccc1)P(=O)(OCC)c1ccccc1
InChIInChI=1S/C16H17O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3
InChIKeyXTXWULYLNOGIJJ-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[ethoxy(phenyl)phosphoryl]ethenylbenzene?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene (CID 11219491) is 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene is C=C(c1ccccc1)P(=O)(OCC)c1ccccc1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene?
The InChIKey is XTXWULYLNOGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2P/c1-3-18-19(17,16-12-8-5-9-13-16)14(2)15-10-6-4-7-11-15/h4-13H,2-3H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene?
1-[ethoxy(phenyl)phosphoryl]ethenylbenzene has a molecular weight of 272.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]ethenylbenzene is sourced from PubChem (CID 11219491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).