2-(diethoxyphosphorylmethyl)naphthalene

C15H19O3P — CID 11097857

IUPAC2-(diethoxyphosphorylmethyl)naphthalene
SMILESCCOP(=O)(Cc1ccc2ccccc2c1)OCC
InChIInChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyHKUMHFGGEGJHLP-UHFFFAOYSA-N
MW278.29 g/mol
LogP4.61
Rot. Bonds6

About 2-(diethoxyphosphorylmethyl)naphthalene

2-(diethoxyphosphorylmethyl)naphthalene (PubChem CID 11097857) has the molecular formula C15H19O3P and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)naphthalene.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)naphthalene
PubChem CID11097857
Molecular FormulaC15H19O3P
Molecular Weight278.29 g/mol
Exact Mass278.11
IUPAC Name2-(diethoxyphosphorylmethyl)naphthalene
SMILESCCOP(=O)(Cc1ccc2ccccc2c1)OCC
InChIInChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3
InChIKeyHKUMHFGGEGJHLP-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 54.61
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-(diethoxyphosphorylmethyl)naphthalene?
The IUPAC name of 2-(diethoxyphosphorylmethyl)naphthalene (CID 11097857) is 2-(diethoxyphosphorylmethyl)naphthalene.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)naphthalene?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)naphthalene is CCOP(=O)(Cc1ccc2ccccc2c1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)naphthalene?
The InChIKey is HKUMHFGGEGJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)naphthalene?
2-(diethoxyphosphorylmethyl)naphthalene has a molecular weight of 278.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)naphthalene is sourced from PubChem (CID 11097857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).