(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium

C11H16O4P+ — CID 71391917

IUPAC(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C11H16O4P/c1-4-15-16(12)8-9-5-6-10(13-2)7-11(9)14-3/h5-7H,4,8H2,1-3H3/q+1
InChIKeyVDIMQWSRWROYRL-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.98
Rot. Bonds6

About (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium

(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium (PubChem CID 71391917) has the molecular formula C11H16O4P+ and a molecular weight of 243.22 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium
PubChem CID71391917
Molecular FormulaC11H16O4P+
Molecular Weight243.22 g/mol
Exact Mass243.08
IUPAC Name(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)Cc1ccc(OC)cc1OC
InChIInChI=1S/C11H16O4P/c1-4-15-16(12)8-9-5-6-10(13-2)7-11(9)14-3/h5-7H,4,8H2,1-3H3/q+1
InChIKeyVDIMQWSRWROYRL-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium 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

4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
1-decyl-2,4-dimethoxybenzene
CID 524862
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 86052866

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium?
The IUPAC name of (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium (CID 71391917) is (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium is CCO[P+](=O)Cc1ccc(OC)cc1OC.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium?
The InChIKey is VDIMQWSRWROYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4P/c1-4-15-16(12)8-9-5-6-10(13-2)7-11(9)14-3/h5-7H,4,8H2,1-3H3/q+1.
What are the key properties of (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium?
(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium has a molecular weight of 243.22 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium is sourced from PubChem (CID 71391917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).