2,2-dimethylpropoxy(phenyl)phosphinic acid

C11H17O3P — CID 54533084

IUPAC2,2-dimethylpropoxy(phenyl)phosphinic acid
SMILESCC(C)(C)COP(=O)(O)c1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyYXWSCRHQYICGMI-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.56
Rot. Bonds3

About 2,2-dimethylpropoxy(phenyl)phosphinic acid

2,2-dimethylpropoxy(phenyl)phosphinic acid (PubChem CID 54533084) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 2,2-dimethylpropoxy(phenyl)phosphinic acid.

Molecular Properties

Compound Name2,2-dimethylpropoxy(phenyl)phosphinic acid
PubChem CID54533084
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name2,2-dimethylpropoxy(phenyl)phosphinic acid
SMILESCC(C)(C)COP(=O)(O)c1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyYXWSCRHQYICGMI-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.56
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

phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
2-aminoethoxy(phenyl)phosphinic acid
CID 23257414
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
but-3-ynoxy(phenyl)phosphinic acid
CID 88830829
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432
[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
CID 118861926
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
CID 58071529

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxy(phenyl)phosphinic acid?
The IUPAC name of 2,2-dimethylpropoxy(phenyl)phosphinic acid (CID 54533084) is 2,2-dimethylpropoxy(phenyl)phosphinic acid.
What is the SMILES notation for 2,2-dimethylpropoxy(phenyl)phosphinic acid?
The canonical SMILES for 2,2-dimethylpropoxy(phenyl)phosphinic acid is CC(C)(C)COP(=O)(O)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropoxy(phenyl)phosphinic acid?
The InChIKey is YXWSCRHQYICGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethylpropoxy(phenyl)phosphinic acid?
2,2-dimethylpropoxy(phenyl)phosphinic acid has a molecular weight of 228.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy(phenyl)phosphinic acid is sourced from PubChem (CID 54533084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).