bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid

C14H11Cl4O4P — CID 139464935

IUPACbis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid
SMILESO=P(O)(C(O)c1ccc(Cl)cc1Cl)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4O4P/c15-7-1-3-9(11(17)5-7)13(19)23(21,22)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14,19-20H,(H,21,22)
InChIKeySIFDFXJVYWAKOJ-UHFFFAOYSA-N
MW416.02 g/mol
LogP5.25
Rot. Bonds4

About bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid

bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid (PubChem CID 139464935) has the molecular formula C14H11Cl4O4P and a molecular weight of 416.02 g/mol. Its IUPAC name is bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid.

Molecular Properties

Compound Namebis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid
PubChem CID139464935
Molecular FormulaC14H11Cl4O4P
Molecular Weight416.02 g/mol
Exact Mass413.91
IUPAC Namebis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid
SMILESO=P(O)(C(O)c1ccc(Cl)cc1Cl)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl4O4P/c15-7-1-3-9(11(17)5-7)13(19)23(21,22)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14,19-20H,(H,21,22)
InChIKeySIFDFXJVYWAKOJ-UHFFFAOYSA-N
XLogP5.25
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.02
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
[2-cyano-2-(2,4-dichlorophenyl)ethyl]sulfanylphosphonic acid
CID 67726992
2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435730
3-[(S)-(2,4-dichlorophenyl)-hydroxymethyl]but-3-en-2-one
CID 102374717
(S)-(2,4-dichlorophenyl)-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]methanol
CID 98345031
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351

Frequently Asked Questions

What is the IUPAC name of bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid?
The IUPAC name of bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid (CID 139464935) is bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid.
What is the SMILES notation for bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid?
The canonical SMILES for bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid is O=P(O)(C(O)c1ccc(Cl)cc1Cl)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid?
The InChIKey is SIFDFXJVYWAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4O4P/c15-7-1-3-9(11(17)5-7)13(19)23(21,22)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14,19-20H,(H,21,22).
What are the key properties of bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid?
bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid has a molecular weight of 416.02 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,4-dichlorophenyl)-hydroxymethyl]phosphinic acid is sourced from PubChem (CID 139464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).