(4-methoxyphenyl)methoxy-methylphosphinic acid

C9H13O4P — CID 18801166

IUPAC(4-methoxyphenyl)methoxy-methylphosphinic acid
SMILESCOc1ccc(COP(C)(=O)O)cc1
InChIInChI=1S/C9H13O4P/c1-12-9-5-3-8(4-6-9)7-13-14(2,10)11/h3-6H,7H2,1-2H3,(H,10,11)
InChIKeyDUQZFOULTKCWQL-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.03
Rot. Bonds4

About (4-methoxyphenyl)methoxy-methylphosphinic acid

(4-methoxyphenyl)methoxy-methylphosphinic acid (PubChem CID 18801166) has the molecular formula C9H13O4P and a molecular weight of 216.17 g/mol. Its IUPAC name is (4-methoxyphenyl)methoxy-methylphosphinic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)methoxy-methylphosphinic acid
PubChem CID18801166
Molecular FormulaC9H13O4P
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name(4-methoxyphenyl)methoxy-methylphosphinic acid
SMILESCOc1ccc(COP(C)(=O)O)cc1
InChIInChI=1S/C9H13O4P/c1-12-9-5-3-8(4-6-9)7-13-14(2,10)11/h3-6H,7H2,1-2H3,(H,10,11)
InChIKeyDUQZFOULTKCWQL-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methoxy-methylphosphinic acid 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-acetyloxyphenyl)methoxy-methylphosphinic acid
CID 14959132
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
CID 175604529
CID 175604529
1-(4-methoxyphenyl)ethenylphosphonic acid
CID 175025880
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl hypobromite
CID 166766888
[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
CID 139085147
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
dibenzyl [(1S,2S,3R,4R,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] phosphate
CID 11216804
(4-methoxyphenyl)methanol
CID 7738

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methoxy-methylphosphinic acid?
The IUPAC name of (4-methoxyphenyl)methoxy-methylphosphinic acid (CID 18801166) is (4-methoxyphenyl)methoxy-methylphosphinic acid.
What is the SMILES notation for (4-methoxyphenyl)methoxy-methylphosphinic acid?
The canonical SMILES for (4-methoxyphenyl)methoxy-methylphosphinic acid is COc1ccc(COP(C)(=O)O)cc1.
What is the InChIKey of (4-methoxyphenyl)methoxy-methylphosphinic acid?
The InChIKey is DUQZFOULTKCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O4P/c1-12-9-5-3-8(4-6-9)7-13-14(2,10)11/h3-6H,7H2,1-2H3,(H,10,11).
What are the key properties of (4-methoxyphenyl)methoxy-methylphosphinic acid?
(4-methoxyphenyl)methoxy-methylphosphinic acid has a molecular weight of 216.17 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methoxy-methylphosphinic acid is sourced from PubChem (CID 18801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).