(2,4-dimethoxyphenyl)-methoxy-oxophosphanium

C9H12O4P+ — CID 70627642

IUPAC(2,4-dimethoxyphenyl)-methoxy-oxophosphanium
SMILESCOc1ccc([P+](=O)OC)c(OC)c1
InChIInChI=1S/C9H12O4P/c1-11-7-4-5-9(14(10)13-3)8(6-7)12-2/h4-6H,1-3H3/q+1
InChIKeyUOKZJKPZOVIVFQ-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.72
Rot. Bonds4

About (2,4-dimethoxyphenyl)-methoxy-oxophosphanium

(2,4-dimethoxyphenyl)-methoxy-oxophosphanium (PubChem CID 70627642) has the molecular formula C9H12O4P+ and a molecular weight of 215.16 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-methoxy-oxophosphanium.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-methoxy-oxophosphanium
PubChem CID70627642
Molecular FormulaC9H12O4P+
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name(2,4-dimethoxyphenyl)-methoxy-oxophosphanium
SMILESCOc1ccc([P+](=O)OC)c(OC)c1
InChIInChI=1S/C9H12O4P/c1-11-7-4-5-9(14(10)13-3)8(6-7)12-2/h4-6H,1-3H3/q+1
InChIKeyUOKZJKPZOVIVFQ-UHFFFAOYSA-N
XLogP1.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.72
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

(2,5-dimethoxyphenyl)-hydroxy-oxophosphanium
CID 135080544
1-dichlorophosphoryl-2,4-dimethoxybenzene
CID 20548444
(2,4-dimethoxyphenyl) formate
CID 11137749
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
(2,4-dimethoxyphenyl)methyl-ethoxy-oxophosphanium
CID 71391917
2,4-dimethoxybenzoate
CID 6947027
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-methoxy-oxophosphanium?
The IUPAC name of (2,4-dimethoxyphenyl)-methoxy-oxophosphanium (CID 70627642) is (2,4-dimethoxyphenyl)-methoxy-oxophosphanium.
What is the SMILES notation for (2,4-dimethoxyphenyl)-methoxy-oxophosphanium?
The canonical SMILES for (2,4-dimethoxyphenyl)-methoxy-oxophosphanium is COc1ccc([P+](=O)OC)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-methoxy-oxophosphanium?
The InChIKey is UOKZJKPZOVIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4P/c1-11-7-4-5-9(14(10)13-3)8(6-7)12-2/h4-6H,1-3H3/q+1.
What are the key properties of (2,4-dimethoxyphenyl)-methoxy-oxophosphanium?
(2,4-dimethoxyphenyl)-methoxy-oxophosphanium has a molecular weight of 215.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-methoxy-oxophosphanium is sourced from PubChem (CID 70627642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).