(2-methylphenyl)-propan-2-yloxyphosphinic acid

C10H15O3P — CID 139679819

IUPAC(2-methylphenyl)-propan-2-yloxyphosphinic acid
SMILESCc1ccccc1P(=O)(O)OC(C)C
InChIInChI=1S/C10H15O3P/c1-8(2)13-14(11,12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,11,12)
InChIKeyOWEGHPSIURKGDV-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.23
Rot. Bonds3

About (2-methylphenyl)-propan-2-yloxyphosphinic acid

(2-methylphenyl)-propan-2-yloxyphosphinic acid (PubChem CID 139679819) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is (2-methylphenyl)-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name(2-methylphenyl)-propan-2-yloxyphosphinic acid
PubChem CID139679819
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name(2-methylphenyl)-propan-2-yloxyphosphinic acid
SMILESCc1ccccc1P(=O)(O)OC(C)C
InChIInChI=1S/C10H15O3P/c1-8(2)13-14(11,12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,11,12)
InChIKeyOWEGHPSIURKGDV-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methylphenyl)-propan-2-yloxyphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-propan-2-yloxyphosphinic acid?
The IUPAC name of (2-methylphenyl)-propan-2-yloxyphosphinic acid (CID 139679819) is (2-methylphenyl)-propan-2-yloxyphosphinic acid.
What is the SMILES notation for (2-methylphenyl)-propan-2-yloxyphosphinic acid?
The canonical SMILES for (2-methylphenyl)-propan-2-yloxyphosphinic acid is Cc1ccccc1P(=O)(O)OC(C)C.
What is the InChIKey of (2-methylphenyl)-propan-2-yloxyphosphinic acid?
The InChIKey is OWEGHPSIURKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c1-8(2)13-14(11,12)10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,11,12).
What are the key properties of (2-methylphenyl)-propan-2-yloxyphosphinic acid?
(2-methylphenyl)-propan-2-yloxyphosphinic acid has a molecular weight of 214.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 139679819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).