diethoxyphosphoryl-(2-methoxyphenyl)methanone

C12H17O5P — CID 23657325

IUPACdiethoxyphosphoryl-(2-methoxyphenyl)methanone
SMILESCCOP(=O)(OCC)C(=O)c1ccccc1OC
InChIInChI=1S/C12H17O5P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9H,4-5H2,1-3H3
InChIKeyQAPJRXOQLZJSAN-UHFFFAOYSA-N
MW272.24 g/mol
LogP3.10
Rot. Bonds7

About diethoxyphosphoryl-(2-methoxyphenyl)methanone

diethoxyphosphoryl-(2-methoxyphenyl)methanone (PubChem CID 23657325) has the molecular formula C12H17O5P and a molecular weight of 272.24 g/mol. Its IUPAC name is diethoxyphosphoryl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Namediethoxyphosphoryl-(2-methoxyphenyl)methanone
PubChem CID23657325
Molecular FormulaC12H17O5P
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Namediethoxyphosphoryl-(2-methoxyphenyl)methanone
SMILESCCOP(=O)(OCC)C(=O)c1ccccc1OC
InChIInChI=1S/C12H17O5P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9H,4-5H2,1-3H3
InChIKeyQAPJRXOQLZJSAN-UHFFFAOYSA-N
XLogP3.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethoxyphosphoryl-(2-methoxyphenyl)methanone 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

(2-diethoxyphosphorylcarbonylphenyl) acetate
CID 71443981
diethoxyphosphorylmethyl 2-methoxybenzoate
CID 57457787
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzohydrazide
CID 24051
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
CID 141034258
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-(2-methoxyphenyl)methanone?
The IUPAC name of diethoxyphosphoryl-(2-methoxyphenyl)methanone (CID 23657325) is diethoxyphosphoryl-(2-methoxyphenyl)methanone.
What is the SMILES notation for diethoxyphosphoryl-(2-methoxyphenyl)methanone?
The canonical SMILES for diethoxyphosphoryl-(2-methoxyphenyl)methanone is CCOP(=O)(OCC)C(=O)c1ccccc1OC.
What is the InChIKey of diethoxyphosphoryl-(2-methoxyphenyl)methanone?
The InChIKey is QAPJRXOQLZJSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O5P/c1-4-16-18(14,17-5-2)12(13)10-8-6-7-9-11(10)15-3/h6-9H,4-5H2,1-3H3.
What are the key properties of diethoxyphosphoryl-(2-methoxyphenyl)methanone?
diethoxyphosphoryl-(2-methoxyphenyl)methanone has a molecular weight of 272.24 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 23657325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).