(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone

C11H15O6P — CID 86047213

IUPAC(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
SMILESCOc1cccc(C(=O)P(=O)(OC)OC)c1OC
InChIInChI=1S/C11H15O6P/c1-14-9-7-5-6-8(10(9)15-2)11(12)18(13,16-3)17-4/h5-7H,1-4H3
InChIKeyTWJIHILAZWYJDS-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.33
Rot. Bonds6

About (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone

(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone (PubChem CID 86047213) has the molecular formula C11H15O6P and a molecular weight of 274.21 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
PubChem CID86047213
Molecular FormulaC11H15O6P
Molecular Weight274.21 g/mol
Exact Mass274.06
IUPAC Name(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
SMILESCOc1cccc(C(=O)P(=O)(OC)OC)c1OC
InChIInChI=1S/C11H15O6P/c1-14-9-7-5-6-8(10(9)15-2)11(12)18(13,16-3)17-4/h5-7H,1-4H3
InChIKeyTWJIHILAZWYJDS-UHFFFAOYSA-N
XLogP2.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone 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

2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2,3-dimethoxybenzamide;hydrate
CID 141005510
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone?
The IUPAC name of (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone (CID 86047213) is (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone is COc1cccc(C(=O)P(=O)(OC)OC)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone?
The InChIKey is TWJIHILAZWYJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O6P/c1-14-9-7-5-6-8(10(9)15-2)11(12)18(13,16-3)17-4/h5-7H,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone?
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone has a molecular weight of 274.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone is sourced from PubChem (CID 86047213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).