Diethyl P-(1-naphthalenylmethyl)phosphonate

C15H19O3P — CID 101271

IUPAC1-(diethoxyphosphorylmethyl)naphthalene
SMILESCCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC
InChIInChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3
InChIKeyAFNZPMQIKMSUTD-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.00
Rot. Bonds6

About Diethyl P-(1-naphthalenylmethyl)phosphonate

Diethyl P-(1-naphthalenylmethyl)phosphonate (PubChem CID 101271) has the molecular formula C15H19O3P and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)naphthalene.

Molecular Properties

Compound NameDiethyl P-(1-naphthalenylmethyl)phosphonate
PubChem CID101271
Molecular FormulaC15H19O3P
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-(diethoxyphosphorylmethyl)naphthalene
SMILESCCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC
InChIInChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3
InChIKeyAFNZPMQIKMSUTD-UHFFFAOYSA-N
XLogP3.00
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity309

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Naphthyl)vinylphosphonic acid
CID 657859
P-(1-Naphthalenylmethyl)phosphonic acid
CID 96536
Phosphonic acid, (alpha-butylbenzyl)-, diethyl ester
CID 99790
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695905
1-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695906
Naphthalen-1-ylphosphonic acid
CID 343831
Phosphonic acid, P-((2-methylphenyl)methyl)-, diethyl ester
CID 112945
9-[2,2-Bis(diethoxyphosphoryl)ethenyl]anthracene
CID 130362615
Diethyl 2-(naphthalen-1-yl)ethyl phosphite
CID 116075
[(E)-3-methyl-5-naphthalen-2-ylpent-2-enyl] phosphono hydrogen phosphate
CID 10407776
Phosphonic acid, (2-naphthalenylmethyl)-
CID 3696145
2-Naphthalen-1-ylethylphosphonic acid
CID 10082823

Frequently Asked Questions

What is the IUPAC name of Diethyl P-(1-naphthalenylmethyl)phosphonate?
The IUPAC name of Diethyl P-(1-naphthalenylmethyl)phosphonate (CID 101271) is 1-(diethoxyphosphorylmethyl)naphthalene.
What is the SMILES notation for Diethyl P-(1-naphthalenylmethyl)phosphonate?
The canonical SMILES for Diethyl P-(1-naphthalenylmethyl)phosphonate is CCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC.
What is the InChIKey of Diethyl P-(1-naphthalenylmethyl)phosphonate?
The InChIKey is AFNZPMQIKMSUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3.
What are the key properties of Diethyl P-(1-naphthalenylmethyl)phosphonate?
Diethyl P-(1-naphthalenylmethyl)phosphonate has a molecular weight of 278.28 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Diethyl P-(1-naphthalenylmethyl)phosphonate is sourced from PubChem (CID 101271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).