2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid

C11H17O3P — CID 2036511

IUPAC2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid
SMILESCC(C)(O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,12)15(13,14)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,14)
InChIKeySUULYVDQJWYYAQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.23
Rot. Bonds4

About 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid

2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid (PubChem CID 2036511) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid
PubChem CID2036511
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid
SMILESCC(C)(O)P(=O)(O)CCc1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,12)15(13,14)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,14)
InChIKeySUULYVDQJWYYAQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid?
The IUPAC name of 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid (CID 2036511) is 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid.
What is the SMILES notation for 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid?
The canonical SMILES for 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid is CC(C)(O)P(=O)(O)CCc1ccccc1.
What is the InChIKey of 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid?
The InChIKey is SUULYVDQJWYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-11(2,12)15(13,14)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid?
2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid has a molecular weight of 228.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 2036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).