diethoxyphosphoryl(naphthalen-1-yl)methanone

C15H17O4P — CID 23002000

IUPACdiethoxyphosphoryl(naphthalen-1-yl)methanone
SMILESCCOP(=O)(OCC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17O4P/c1-3-18-20(17,19-4-2)15(16)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyOFALJDZEQBRTQO-UHFFFAOYSA-N
MW292.27 g/mol
LogP4.25
Rot. Bonds6

About diethoxyphosphoryl(naphthalen-1-yl)methanone

diethoxyphosphoryl(naphthalen-1-yl)methanone (PubChem CID 23002000) has the molecular formula C15H17O4P and a molecular weight of 292.27 g/mol. Its IUPAC name is diethoxyphosphoryl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Namediethoxyphosphoryl(naphthalen-1-yl)methanone
PubChem CID23002000
Molecular FormulaC15H17O4P
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namediethoxyphosphoryl(naphthalen-1-yl)methanone
SMILESCCOP(=O)(OCC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17O4P/c1-3-18-20(17,19-4-2)15(16)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKeyOFALJDZEQBRTQO-UHFFFAOYSA-N
XLogP4.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
CID 152783662
diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325
(2-diethoxyphosphorylcarbonylphenyl) acetate
CID 71443981
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
1-[(E)-2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]ethenyl]naphthalene
CID 130466238
[(E)-1-diethoxyphosphoryl-2-naphthalen-1-ylethenyl]-diethoxyphosphane
CID 138502892
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
ethyl 2-amino-3,3-dinaphthalen-1-ylprop-2-enoate
CID 175236588
1-naphthalen-1-ylpentane-1,2-dione
CID 69248581

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl(naphthalen-1-yl)methanone?
The IUPAC name of diethoxyphosphoryl(naphthalen-1-yl)methanone (CID 23002000) is diethoxyphosphoryl(naphthalen-1-yl)methanone.
What is the SMILES notation for diethoxyphosphoryl(naphthalen-1-yl)methanone?
The canonical SMILES for diethoxyphosphoryl(naphthalen-1-yl)methanone is CCOP(=O)(OCC)C(=O)c1cccc2ccccc12.
What is the InChIKey of diethoxyphosphoryl(naphthalen-1-yl)methanone?
The InChIKey is OFALJDZEQBRTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O4P/c1-3-18-20(17,19-4-2)15(16)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3.
What are the key properties of diethoxyphosphoryl(naphthalen-1-yl)methanone?
diethoxyphosphoryl(naphthalen-1-yl)methanone has a molecular weight of 292.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl(naphthalen-1-yl)methanone is sourced from PubChem (CID 23002000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).