2-methylpropyl(phenyl)phosphinic acid

C10H15O2P — CID 793404

IUPAC2-methylpropyl(phenyl)phosphinic acid
SMILESCC(C)CP(=O)(O)c1ccccc1
InChIInChI=1S/C10H15O2P/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,11,12)
InChIKeyXYWGGWDBLLPBPT-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.24
Rot. Bonds3

About 2-methylpropyl(phenyl)phosphinic acid

2-methylpropyl(phenyl)phosphinic acid (PubChem CID 793404) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-methylpropyl(phenyl)phosphinic acid.

Molecular Properties

Compound Name2-methylpropyl(phenyl)phosphinic acid
PubChem CID793404
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-methylpropyl(phenyl)phosphinic acid
SMILESCC(C)CP(=O)(O)c1ccccc1
InChIInChI=1S/C10H15O2P/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,11,12)
InChIKeyXYWGGWDBLLPBPT-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[hydroxy(phenyl)phosphoryl]methylamino]-4-methylpentanoic acid
CID 15939366
3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid
CID 18472890
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
diphenylphosphinic acid chloride
CID 53401992
ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 90760124
bis(diphenylphosphinic acid);4-methyloctane-3,5-diol
CID 90418398
4-diphenylphosphoryl-3-methylbutan-2-one
CID 13202522
2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
[(2S)-2-amino-1-hydroxy-4-methylpentyl]-phenylphosphinic acid
CID 22873479
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(phenyl)phosphinic acid?
The IUPAC name of 2-methylpropyl(phenyl)phosphinic acid (CID 793404) is 2-methylpropyl(phenyl)phosphinic acid.
What is the SMILES notation for 2-methylpropyl(phenyl)phosphinic acid?
The canonical SMILES for 2-methylpropyl(phenyl)phosphinic acid is CC(C)CP(=O)(O)c1ccccc1.
What is the InChIKey of 2-methylpropyl(phenyl)phosphinic acid?
The InChIKey is XYWGGWDBLLPBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2P/c1-9(2)8-13(11,12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,11,12).
What are the key properties of 2-methylpropyl(phenyl)phosphinic acid?
2-methylpropyl(phenyl)phosphinic acid has a molecular weight of 198.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(phenyl)phosphinic acid is sourced from PubChem (CID 793404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).