4-(4-diphenylphosphanylphenyl)butanoic acid

C22H21O2P — CID 19809583

IUPAC4-(4-diphenylphosphanylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21O2P/c23-22(24)13-7-8-18-14-16-21(17-15-18)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2,(H,23,24)
InChIKeyULLLYOZSLDZEEQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.85
Rot. Bonds7

About 4-(4-diphenylphosphanylphenyl)butanoic acid

4-(4-diphenylphosphanylphenyl)butanoic acid (PubChem CID 19809583) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-(4-diphenylphosphanylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-diphenylphosphanylphenyl)butanoic acid
PubChem CID19809583
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-(4-diphenylphosphanylphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21O2P/c23-22(24)13-7-8-18-14-16-21(17-15-18)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2,(H,23,24)
InChIKeyULLLYOZSLDZEEQ-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-diphenylphosphanylphenyl)butanoic 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

15-phenylpentadecanoic acid
CID 2737151
5-(4-diphenylphosphanylphenyl)pentanal
CID 12013218
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
2-chloroacetic acid;triphenylphosphane
CID 158594327
lithium 4-phenylbutanoate
CID 50923149

Frequently Asked Questions

What is the IUPAC name of 4-(4-diphenylphosphanylphenyl)butanoic acid?
The IUPAC name of 4-(4-diphenylphosphanylphenyl)butanoic acid (CID 19809583) is 4-(4-diphenylphosphanylphenyl)butanoic acid.
What is the SMILES notation for 4-(4-diphenylphosphanylphenyl)butanoic acid?
The canonical SMILES for 4-(4-diphenylphosphanylphenyl)butanoic acid is O=C(O)CCCc1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-diphenylphosphanylphenyl)butanoic acid?
The InChIKey is ULLLYOZSLDZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P/c23-22(24)13-7-8-18-14-16-21(17-15-18)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,14-17H,7-8,13H2,(H,23,24).
What are the key properties of 4-(4-diphenylphosphanylphenyl)butanoic acid?
4-(4-diphenylphosphanylphenyl)butanoic acid has a molecular weight of 348.38 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-diphenylphosphanylphenyl)butanoic acid is sourced from PubChem (CID 19809583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).