3-diphenylphosphanylpropanoic acid

C15H15O2P — CID 3709176

IUPAC3-diphenylphosphanylpropanoic acid
SMILESO=C(O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyOTSIFUHGOBFOTH-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.59
Rot. Bonds5

About 3-diphenylphosphanylpropanoic acid

3-diphenylphosphanylpropanoic acid (PubChem CID 3709176) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-diphenylphosphanylpropanoic acid.

Molecular Properties

Compound Name3-diphenylphosphanylpropanoic acid
PubChem CID3709176
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name3-diphenylphosphanylpropanoic acid
SMILESO=C(O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKeyOTSIFUHGOBFOTH-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylpropanoic acid?
The IUPAC name of 3-diphenylphosphanylpropanoic acid (CID 3709176) is 3-diphenylphosphanylpropanoic acid.
What is the SMILES notation for 3-diphenylphosphanylpropanoic acid?
The canonical SMILES for 3-diphenylphosphanylpropanoic acid is O=C(O)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanylpropanoic acid?
The InChIKey is OTSIFUHGOBFOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17).
What are the key properties of 3-diphenylphosphanylpropanoic acid?
3-diphenylphosphanylpropanoic acid has a molecular weight of 258.26 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpropanoic acid is sourced from PubChem (CID 3709176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).