(2-methylphenyl)peroxy-phenylphosphinic acid

C13H13O4P — CID 140626535

IUPAC(2-methylphenyl)peroxy-phenylphosphinic acid
SMILESCc1ccccc1OOP(=O)(O)c1ccccc1
InChIInChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)16-17-18(14,15)12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15)
InChIKeyRQUSMYWZNSUTDZ-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.82
Rot. Bonds4

About (2-methylphenyl)peroxy-phenylphosphinic acid

(2-methylphenyl)peroxy-phenylphosphinic acid (PubChem CID 140626535) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is (2-methylphenyl)peroxy-phenylphosphinic acid.

Molecular Properties

Compound Name(2-methylphenyl)peroxy-phenylphosphinic acid
PubChem CID140626535
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name(2-methylphenyl)peroxy-phenylphosphinic acid
SMILESCc1ccccc1OOP(=O)(O)c1ccccc1
InChIInChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)16-17-18(14,15)12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15)
InChIKeyRQUSMYWZNSUTDZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[[hydroxy-[hydroxy-(2-methylphenyl)peroxyphosphoryl]methyl]amino]acetic acid
CID 22764572
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
(2-methylphenyl) benzenecarboperoxoate
CID 20535539
CID 174515144
CID 174515144
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
bis(2-methylphenyl) phenyl phosphate
CID 14618640
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819
2-aminoethoxy(phenyl)phosphinic acid
CID 23257414

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)peroxy-phenylphosphinic acid?
The IUPAC name of (2-methylphenyl)peroxy-phenylphosphinic acid (CID 140626535) is (2-methylphenyl)peroxy-phenylphosphinic acid.
What is the SMILES notation for (2-methylphenyl)peroxy-phenylphosphinic acid?
The canonical SMILES for (2-methylphenyl)peroxy-phenylphosphinic acid is Cc1ccccc1OOP(=O)(O)c1ccccc1.
What is the InChIKey of (2-methylphenyl)peroxy-phenylphosphinic acid?
The InChIKey is RQUSMYWZNSUTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)16-17-18(14,15)12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15).
What are the key properties of (2-methylphenyl)peroxy-phenylphosphinic acid?
(2-methylphenyl)peroxy-phenylphosphinic acid has a molecular weight of 264.22 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)peroxy-phenylphosphinic acid is sourced from PubChem (CID 140626535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).