1-diethoxyphosphorylnaphthalene

C14H17O3P — CID 4263365

IUPAC1-diethoxyphosphorylnaphthalene
SMILESCCOP(=O)(OCC)c1cccc2ccccc12
InChIInChI=1S/C14H17O3P/c1-3-16-18(15,17-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyINXMOAKUGQVZPN-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.73
Rot. Bonds5

About 1-diethoxyphosphorylnaphthalene

1-diethoxyphosphorylnaphthalene (PubChem CID 4263365) has the molecular formula C14H17O3P and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-diethoxyphosphorylnaphthalene.

Molecular Properties

Compound Name1-diethoxyphosphorylnaphthalene
PubChem CID4263365
Molecular FormulaC14H17O3P
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name1-diethoxyphosphorylnaphthalene
SMILESCCOP(=O)(OCC)c1cccc2ccccc12
InChIInChI=1S/C14H17O3P/c1-3-16-18(15,17-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyINXMOAKUGQVZPN-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.73
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 1-diethoxyphosphorylnaphthalene?
The IUPAC name of 1-diethoxyphosphorylnaphthalene (CID 4263365) is 1-diethoxyphosphorylnaphthalene.
What is the SMILES notation for 1-diethoxyphosphorylnaphthalene?
The canonical SMILES for 1-diethoxyphosphorylnaphthalene is CCOP(=O)(OCC)c1cccc2ccccc12.
What is the InChIKey of 1-diethoxyphosphorylnaphthalene?
The InChIKey is INXMOAKUGQVZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O3P/c1-3-16-18(15,17-4-2)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylnaphthalene?
1-diethoxyphosphorylnaphthalene has a molecular weight of 264.26 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylnaphthalene is sourced from PubChem (CID 4263365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).