(2,5-dichlorophenyl)-ethoxyphosphinic acid

C8H9Cl2O3P — CID 165355272

IUPAC(2,5-dichlorophenyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2O3P/c1-2-13-14(11,12)8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyDFGQWDBJNKBRKG-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.84
Rot. Bonds3

About (2,5-dichlorophenyl)-ethoxyphosphinic acid

(2,5-dichlorophenyl)-ethoxyphosphinic acid (PubChem CID 165355272) has the molecular formula C8H9Cl2O3P and a molecular weight of 255.04 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-ethoxyphosphinic acid
PubChem CID165355272
Molecular FormulaC8H9Cl2O3P
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name(2,5-dichlorophenyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C8H9Cl2O3P/c1-2-13-14(11,12)8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChIKeyDFGQWDBJNKBRKG-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,5-dichlorophenyl)-ethoxyphosphinic 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

[2-(4-chlorophenyl)phenyl]-ethoxyphosphinic acid
CID 118483667
(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid
CID 10639537
[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
CID 142518904
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
[2-(2-chlorobenzoyl)oxyphenyl]-ethoxyphosphinic acid
CID 71676346
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
CID 11110183
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 21489075
(2-amino-4-chloroanilino)methyl-ethoxyphosphinic acid;hydrochloride
CID 2795150
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-ethoxyphosphinic acid?
The IUPAC name of (2,5-dichlorophenyl)-ethoxyphosphinic acid (CID 165355272) is (2,5-dichlorophenyl)-ethoxyphosphinic acid.
What is the SMILES notation for (2,5-dichlorophenyl)-ethoxyphosphinic acid?
The canonical SMILES for (2,5-dichlorophenyl)-ethoxyphosphinic acid is CCOP(=O)(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-ethoxyphosphinic acid?
The InChIKey is DFGQWDBJNKBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2O3P/c1-2-13-14(11,12)8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of (2,5-dichlorophenyl)-ethoxyphosphinic acid?
(2,5-dichlorophenyl)-ethoxyphosphinic acid has a molecular weight of 255.04 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-ethoxyphosphinic acid is sourced from PubChem (CID 165355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).