1,2-diphenylethoxy(hydroxymethyl)phosphinic acid

C15H17O4P — CID 87705885

IUPAC1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
SMILESO=P(O)(CO)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O4P/c16-12-20(17,18)19-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,17,18)
InChIKeyOWQGORPYNFSUQJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.12
Rot. Bonds6

About 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid

1,2-diphenylethoxy(hydroxymethyl)phosphinic acid (PubChem CID 87705885) has the molecular formula C15H17O4P and a molecular weight of 292.27 g/mol. Its IUPAC name is 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid.

Molecular Properties

Compound Name1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
PubChem CID87705885
Molecular FormulaC15H17O4P
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
SMILESO=P(O)(CO)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H17O4P/c16-12-20(17,18)19-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,17,18)
InChIKeyOWQGORPYNFSUQJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-diphenylethoxy(hydroxymethyl)phosphinic 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

bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
1,2-diphenylethoxy-[(4-nitrophenoxy)carbonyloxymethyl]phosphinic acid
CID 87705770
1,2-diphenylethoxy hydrogen sulfate
CID 135012172
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
CID 67285641
(1R)-1,2-diphenylethanol
CID 1379022
2-(1,2-diphenylethoxycarbonyl)-4-methylpentanoic acid
CID 70637765
potassium;hydride;oxo-(2-phenyl-1-phosphonoethoxy)phosphanium
CID 173336767
[(R)-(benzylamino)-phenylmethyl]-(hydroxymethyl)phosphinic acid
CID 950630
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium
CID 10002906

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid?
The IUPAC name of 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid (CID 87705885) is 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid.
What is the SMILES notation for 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid?
The canonical SMILES for 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid is O=P(O)(CO)OC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid?
The InChIKey is OWQGORPYNFSUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O4P/c16-12-20(17,18)19-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,17,18).
What are the key properties of 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid?
1,2-diphenylethoxy(hydroxymethyl)phosphinic acid has a molecular weight of 292.27 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethoxy(hydroxymethyl)phosphinic acid is sourced from PubChem (CID 87705885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).