5-diphenylphosphorylpentanoic acid

C17H19O3P — CID 10380172

IUPAC5-diphenylphosphorylpentanoic acid
SMILESO=C(O)CCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19)
InChIKeyKIGXMYYGQYMICF-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.26
Rot. Bonds7

About 5-diphenylphosphorylpentanoic acid

5-diphenylphosphorylpentanoic acid (PubChem CID 10380172) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-diphenylphosphorylpentanoic acid.

Molecular Properties

Compound Name5-diphenylphosphorylpentanoic acid
PubChem CID10380172
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name5-diphenylphosphorylpentanoic acid
SMILESO=C(O)CCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19)
InChIKeyKIGXMYYGQYMICF-UHFFFAOYSA-N
XLogP3.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-diphenylphosphorylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphorylpentanoic acid?
The IUPAC name of 5-diphenylphosphorylpentanoic acid (CID 10380172) is 5-diphenylphosphorylpentanoic acid.
What is the SMILES notation for 5-diphenylphosphorylpentanoic acid?
The canonical SMILES for 5-diphenylphosphorylpentanoic acid is O=C(O)CCCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-diphenylphosphorylpentanoic acid?
The InChIKey is KIGXMYYGQYMICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19).
What are the key properties of 5-diphenylphosphorylpentanoic acid?
5-diphenylphosphorylpentanoic acid has a molecular weight of 302.31 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphorylpentanoic acid is sourced from PubChem (CID 10380172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).