1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one

C15H17O4P — CID 135086850

IUPAC1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one
SMILESCOP(=O)(OC)C(=O)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H17O4P/c1-11(15(16)20(17,18-2)19-3)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,1-3H3
InChIKeyMGBXTWDXMSTDTN-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.96
Rot. Bonds5

About 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one

1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one (PubChem CID 135086850) has the molecular formula C15H17O4P and a molecular weight of 292.27 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one
PubChem CID135086850
Molecular FormulaC15H17O4P
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one
SMILESCOP(=O)(OC)C(=O)C(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H17O4P/c1-11(15(16)20(17,18-2)19-3)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,1-3H3
InChIKeyMGBXTWDXMSTDTN-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
2-naphthalen-2-ylpropanehydrazide
CID 116843954
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
CID 88696852
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
ethane;2-propan-2-ylnaphthalene
CID 142226111
1-hydroxy-3-methyl-1-naphthalen-2-ylbutan-2-one
CID 23568525
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
methyl 2-hydroxy-3-methyl-2-(1-naphthalen-2-ylethyl)butanoate
CID 79304282
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119503851

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one (CID 135086850) is 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one is COP(=O)(OC)C(=O)C(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one?
The InChIKey is MGBXTWDXMSTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O4P/c1-11(15(16)20(17,18-2)19-3)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one?
1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one has a molecular weight of 292.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-2-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 135086850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).