1-diethoxyphosphoryl-4-methylnaphthalene

C15H19O3P — CID 122695096

IUPAC1-diethoxyphosphoryl-4-methylnaphthalene
SMILESCCOP(=O)(OCC)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H19O3P/c1-4-17-19(16,18-5-2)15-11-10-12(3)13-8-6-7-9-14(13)15/h6-11H,4-5H2,1-3H3
InChIKeyKCFHBRVPGNSICK-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.04
Rot. Bonds5

About 1-diethoxyphosphoryl-4-methylnaphthalene

1-diethoxyphosphoryl-4-methylnaphthalene (PubChem CID 122695096) has the molecular formula C15H19O3P and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methylnaphthalene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methylnaphthalene
PubChem CID122695096
Molecular FormulaC15H19O3P
Molecular Weight278.29 g/mol
Exact Mass278.11
IUPAC Name1-diethoxyphosphoryl-4-methylnaphthalene
SMILESCCOP(=O)(OCC)c1ccc(C)c2ccccc12
InChIInChI=1S/C15H19O3P/c1-4-17-19(16,18-5-2)15-11-10-12(3)13-8-6-7-9-14(13)15/h6-11H,4-5H2,1-3H3
InChIKeyKCFHBRVPGNSICK-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-diethoxyphosphoryl-4-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methylnaphthalene?
The IUPAC name of 1-diethoxyphosphoryl-4-methylnaphthalene (CID 122695096) is 1-diethoxyphosphoryl-4-methylnaphthalene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methylnaphthalene?
The canonical SMILES for 1-diethoxyphosphoryl-4-methylnaphthalene is CCOP(=O)(OCC)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-diethoxyphosphoryl-4-methylnaphthalene?
The InChIKey is KCFHBRVPGNSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O3P/c1-4-17-19(16,18-5-2)15-11-10-12(3)13-8-6-7-9-14(13)15/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-4-methylnaphthalene?
1-diethoxyphosphoryl-4-methylnaphthalene has a molecular weight of 278.29 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-methylnaphthalene is sourced from PubChem (CID 122695096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).