2,2-diphenyl-3-phosphanylpropanoic acid

C15H15O2P — CID 21269236

IUPAC2,2-diphenyl-3-phosphanylpropanoic acid
SMILESO=C(O)C(CP)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c16-14(17)15(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,18H2,(H,16,17)
InChIKeyVKEUJAAJVYSKPO-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.93
Rot. Bonds4

About 2,2-diphenyl-3-phosphanylpropanoic acid

2,2-diphenyl-3-phosphanylpropanoic acid (PubChem CID 21269236) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 2,2-diphenyl-3-phosphanylpropanoic acid.

Molecular Properties

Compound Name2,2-diphenyl-3-phosphanylpropanoic acid
PubChem CID21269236
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name2,2-diphenyl-3-phosphanylpropanoic acid
SMILESO=C(O)C(CP)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c16-14(17)15(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,18H2,(H,16,17)
InChIKeyVKEUJAAJVYSKPO-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.93
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

6-methyl-2,2-diphenylheptanoic acid
CID 141362939
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
2-(3-fluorophenyl)-2-phenylbutanedioic acid
CID 152760459
3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid
CID 121398970
2,2,3-triphenylpropanethioic S-acid
CID 154321900
carbonic acid;4,4,4-triphenylbutylphosphane
CID 173313082
3,3-diphenylpentanediamide
CID 141227643
6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
CID 161419410
CID 161419410
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3-phosphanylpropanoic acid?
The IUPAC name of 2,2-diphenyl-3-phosphanylpropanoic acid (CID 21269236) is 2,2-diphenyl-3-phosphanylpropanoic acid.
What is the SMILES notation for 2,2-diphenyl-3-phosphanylpropanoic acid?
The canonical SMILES for 2,2-diphenyl-3-phosphanylpropanoic acid is O=C(O)C(CP)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-3-phosphanylpropanoic acid?
The InChIKey is VKEUJAAJVYSKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c16-14(17)15(11-18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11,18H2,(H,16,17).
What are the key properties of 2,2-diphenyl-3-phosphanylpropanoic acid?
2,2-diphenyl-3-phosphanylpropanoic acid has a molecular weight of 258.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3-phosphanylpropanoic acid is sourced from PubChem (CID 21269236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).