3-diphenylphosphanyl-3-phenylpropanoic acid

C21H19O2P — CID 11759426

IUPAC3-diphenylphosphanyl-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c22-21(23)16-20(17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23)
InChIKeyMZEMUEYYOBXFEV-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.34
Rot. Bonds6

About 3-diphenylphosphanyl-3-phenylpropanoic acid

3-diphenylphosphanyl-3-phenylpropanoic acid (PubChem CID 11759426) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-diphenylphosphanyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-diphenylphosphanyl-3-phenylpropanoic acid
PubChem CID11759426
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Name3-diphenylphosphanyl-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c22-21(23)16-20(17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23)
InChIKeyMZEMUEYYOBXFEV-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.34
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

benzyl (3S)-3-diphenylphosphanyl-3-phenylpropanoate
CID 101153060
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
2-deuterio-3-diphenylphosphanyl-3-phenylpropanal
CID 139228240
3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
3-chloro-3-phenylpropanoic acid
CID 22742526
2-phenylbutanedioic acid
CID 161009404
3-diphenylphosphanyl-3-[3-(1-diphenylphosphanyl-3-oxo-3-phenylpropyl)-5-methoxyphenyl]-1-phenylpropan-1-one
CID 122372697
(4S)-4-benzyl-3-[(3R)-3-diphenylphosphanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 11477431
[(1R)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane
CID 134976469
4-methyl-3-phenylpentanoic acid
CID 3249521
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(2-carboxy-1-phenylethyl)-triphenylphosphanium bromide
CID 45048009

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-3-phenylpropanoic acid?
The IUPAC name of 3-diphenylphosphanyl-3-phenylpropanoic acid (CID 11759426) is 3-diphenylphosphanyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-diphenylphosphanyl-3-phenylpropanoic acid?
The canonical SMILES for 3-diphenylphosphanyl-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanyl-3-phenylpropanoic acid?
The InChIKey is MZEMUEYYOBXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P/c22-21(23)16-20(17-10-4-1-5-11-17)24(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2,(H,22,23).
What are the key properties of 3-diphenylphosphanyl-3-phenylpropanoic acid?
3-diphenylphosphanyl-3-phenylpropanoic acid has a molecular weight of 334.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-3-phenylpropanoic acid is sourced from PubChem (CID 11759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).