methyl-(2-methylphenoxy)phosphinic acid

C8H11O3P — CID 13143305

IUPACmethyl-(2-methylphenoxy)phosphinic acid
SMILESCc1ccccc1OP(C)(=O)O
InChIInChI=1S/C8H11O3P/c1-7-5-3-4-6-8(7)11-12(2,9)10/h3-6H,1-2H3,(H,9,10)
InChIKeyZVSCZSRJHNNZBW-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.19
Rot. Bonds2

About methyl-(2-methylphenoxy)phosphinic acid

methyl-(2-methylphenoxy)phosphinic acid (PubChem CID 13143305) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is methyl-(2-methylphenoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl-(2-methylphenoxy)phosphinic acid
PubChem CID13143305
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Namemethyl-(2-methylphenoxy)phosphinic acid
SMILESCc1ccccc1OP(C)(=O)O
InChIInChI=1S/C8H11O3P/c1-7-5-3-4-6-8(7)11-12(2,9)10/h3-6H,1-2H3,(H,9,10)
InChIKeyZVSCZSRJHNNZBW-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
CID 154071432
bis(2-methylphenyl) phenyl phosphate
CID 14618640
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
bis(2-methylphenoxy)phosphoryl ethaneperoxoate
CID 172721615
methyl-(2-octadecoxyphenoxy)phosphinic acid
CID 139804510
(2-methylphenyl)peroxy-phenylphosphinic acid
CID 140626535
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylphenoxy)phosphinic acid?
The IUPAC name of methyl-(2-methylphenoxy)phosphinic acid (CID 13143305) is methyl-(2-methylphenoxy)phosphinic acid.
What is the SMILES notation for methyl-(2-methylphenoxy)phosphinic acid?
The canonical SMILES for methyl-(2-methylphenoxy)phosphinic acid is Cc1ccccc1OP(C)(=O)O.
What is the InChIKey of methyl-(2-methylphenoxy)phosphinic acid?
The InChIKey is ZVSCZSRJHNNZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P/c1-7-5-3-4-6-8(7)11-12(2,9)10/h3-6H,1-2H3,(H,9,10).
What are the key properties of methyl-(2-methylphenoxy)phosphinic acid?
methyl-(2-methylphenoxy)phosphinic acid has a molecular weight of 186.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylphenoxy)phosphinic acid is sourced from PubChem (CID 13143305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).