2-[methyl(phenyl)phosphoryl]propan-2-ol

C10H15O2P — CID 877619

IUPAC2-[methyl(phenyl)phosphoryl]propan-2-ol
SMILESCC(C)(O)P(C)(=O)c1ccccc1
InChIInChI=1S/C10H15O2P/c1-10(2,11)13(3,12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyXGTRANNSDNGFRJ-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.03
Rot. Bonds2

About 2-[methyl(phenyl)phosphoryl]propan-2-ol

2-[methyl(phenyl)phosphoryl]propan-2-ol (PubChem CID 877619) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-[methyl(phenyl)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name2-[methyl(phenyl)phosphoryl]propan-2-ol
PubChem CID877619
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-[methyl(phenyl)phosphoryl]propan-2-ol
SMILESCC(C)(O)P(C)(=O)c1ccccc1
InChIInChI=1S/C10H15O2P/c1-10(2,11)13(3,12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyXGTRANNSDNGFRJ-UHFFFAOYSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyl)phosphoryl]propan-2-ol?
The IUPAC name of 2-[methyl(phenyl)phosphoryl]propan-2-ol (CID 877619) is 2-[methyl(phenyl)phosphoryl]propan-2-ol.
What is the SMILES notation for 2-[methyl(phenyl)phosphoryl]propan-2-ol?
The canonical SMILES for 2-[methyl(phenyl)phosphoryl]propan-2-ol is CC(C)(O)P(C)(=O)c1ccccc1.
What is the InChIKey of 2-[methyl(phenyl)phosphoryl]propan-2-ol?
The InChIKey is XGTRANNSDNGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2P/c1-10(2,11)13(3,12)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of 2-[methyl(phenyl)phosphoryl]propan-2-ol?
2-[methyl(phenyl)phosphoryl]propan-2-ol has a molecular weight of 198.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyl)phosphoryl]propan-2-ol is sourced from PubChem (CID 877619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).