2-[(E)-2-diethoxyphosphorylethenyl]naphthalene

C16H19O3P — CID 10637221

IUPAC2-[(E)-2-diethoxyphosphorylethenyl]naphthalene
SMILESCCOP(=O)(/C=C/c1ccc2ccccc2c1)OCC
InChIInChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)12-11-14-9-10-15-7-5-6-8-16(15)13-14/h5-13H,3-4H2,1-2H3/b12-11+
InChIKeyOOCXGHLBPRITTE-VAWYXSNFSA-N
MW290.30 g/mol
LogP5.08
Rot. Bonds6

About 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene

2-[(E)-2-diethoxyphosphorylethenyl]naphthalene (PubChem CID 10637221) has the molecular formula C16H19O3P and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-diethoxyphosphorylethenyl]naphthalene
PubChem CID10637221
Molecular FormulaC16H19O3P
Molecular Weight290.30 g/mol
Exact Mass290.11
IUPAC Name2-[(E)-2-diethoxyphosphorylethenyl]naphthalene
SMILESCCOP(=O)(/C=C/c1ccc2ccccc2c1)OCC
InChIInChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)12-11-14-9-10-15-7-5-6-8-16(15)13-14/h5-13H,3-4H2,1-2H3/b12-11+
InChIKeyOOCXGHLBPRITTE-VAWYXSNFSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene (CID 10637221) is 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene is CCOP(=O)(/C=C/c1ccc2ccccc2c1)OCC.
What is the InChIKey of 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene?
The InChIKey is OOCXGHLBPRITTE-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H19O3P/c1-3-18-20(17,19-4-2)12-11-14-9-10-15-7-5-6-8-16(15)13-14/h5-13H,3-4H2,1-2H3/b12-11+.
What are the key properties of 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene?
2-[(E)-2-diethoxyphosphorylethenyl]naphthalene has a molecular weight of 290.30 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-diethoxyphosphorylethenyl]naphthalene is sourced from PubChem (CID 10637221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).