2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid

C27H23O2P — CID 54136290

IUPAC2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid
SMILESO=C(O)C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23O2P/c28-27(29)26(22-13-5-1-6-14-22)21-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H,(H,28,29)
InChIKeyNXXVNIJEMCHVIM-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.65
Rot. Bonds6

About 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid

2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid (PubChem CID 54136290) has the molecular formula C27H23O2P and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid
PubChem CID54136290
Molecular FormulaC27H23O2P
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid
SMILESO=C(O)C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23O2P/c28-27(29)26(22-13-5-1-6-14-22)21-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H,(H,28,29)
InChIKeyNXXVNIJEMCHVIM-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-phenylpent-3-enoic acid
CID 10559580
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
(2S)-2-iodo-2-phenylacetic acid
CID 142067651
3-oxo-2,4-diphenylpentanedithial
CID 174886605
3-oxo-2-phenylpropanoate
CID 18187381
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
5-methyl-3-phenylhex-4-en-2-one
CID 10559533
(triphenyl-λ5-phosphanylidene)methylphosphonic acid
CID 21266815
4-(chloromethyl)-2-phenylhex-3-enoic acid
CID 78103592
3-[hydroxy(phenyl)phosphoryl]-2-phenylpropanoic acid
CID 18472890

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid?
The IUPAC name of 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid (CID 54136290) is 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid?
The canonical SMILES for 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid is O=C(O)C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid?
The InChIKey is NXXVNIJEMCHVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O2P/c28-27(29)26(22-13-5-1-6-14-22)21-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21,26H,(H,28,29).
What are the key properties of 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid?
2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid has a molecular weight of 410.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(triphenyl-λ5-phosphanylidene)propanoic acid is sourced from PubChem (CID 54136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).