[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene

C17H19O3P — CID 11324093

IUPAC[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
SMILESC=C(OP(=O)(Cc1ccccc1)OCC)c1ccccc1
InChIInChI=1S/C17H19O3P/c1-3-19-21(18,14-16-10-6-4-7-11-16)20-15(2)17-12-8-5-9-13-17/h4-13H,2-3,14H2,1H3
InChIKeyUIXNOYADMDZNAM-UHFFFAOYSA-N
MW302.31 g/mol
LogP5.10
Rot. Bonds7

About [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene

[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene (PubChem CID 11324093) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
PubChem CID11324093
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
SMILESC=C(OP(=O)(Cc1ccccc1)OCC)c1ccccc1
InChIInChI=1S/C17H19O3P/c1-3-19-21(18,14-16-10-6-4-7-11-16)20-15(2)17-12-8-5-9-13-17/h4-13H,2-3,14H2,1H3
InChIKeyUIXNOYADMDZNAM-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene?
The IUPAC name of [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene (CID 11324093) is [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene.
What is the SMILES notation for [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene?
The canonical SMILES for [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene is C=C(OP(=O)(Cc1ccccc1)OCC)c1ccccc1.
What is the InChIKey of [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene?
The InChIKey is UIXNOYADMDZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-3-19-21(18,14-16-10-6-4-7-11-16)20-15(2)17-12-8-5-9-13-17/h4-13H,2-3,14H2,1H3.
What are the key properties of [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene?
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene has a molecular weight of 302.31 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene is sourced from PubChem (CID 11324093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).