8-diphenylphosphanyloctanoic acid

C20H25O2P — CID 20679688

IUPAC8-diphenylphosphanyloctanoic acid
SMILESO=C(O)CCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O2P/c21-20(22)16-10-2-1-3-11-17-23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,21,22)
InChIKeyPPQMJRXUQYJUCF-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.54
Rot. Bonds10

About 8-diphenylphosphanyloctanoic acid

8-diphenylphosphanyloctanoic acid (PubChem CID 20679688) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-diphenylphosphanyloctanoic acid.

Molecular Properties

Compound Name8-diphenylphosphanyloctanoic acid
PubChem CID20679688
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name8-diphenylphosphanyloctanoic acid
SMILESO=C(O)CCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O2P/c21-20(22)16-10-2-1-3-11-17-23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,21,22)
InChIKeyPPQMJRXUQYJUCF-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-diphenylphosphanyloctanoic 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

10-diphenylphosphanyldecanoic acid
CID 71402645
decanedioic acid;phthalic acid
CID 67564124
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
1,7-bis(diphenylphosphanyl)heptane-1,7-dione
CID 13144223
15-phenylpentadecanoic acid
CID 2737151
bis(4-diphenylphosphanylbutyl(diphenyl)phosphane);platinum;ditetrafluoroborate;dihydrate
CID 10996904
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
bis(2-diphenylphosphanylacetic acid);nickel
CID 156635270
benzenethiol;hexanedioic acid
CID 70583090

Frequently Asked Questions

What is the IUPAC name of 8-diphenylphosphanyloctanoic acid?
The IUPAC name of 8-diphenylphosphanyloctanoic acid (CID 20679688) is 8-diphenylphosphanyloctanoic acid.
What is the SMILES notation for 8-diphenylphosphanyloctanoic acid?
The canonical SMILES for 8-diphenylphosphanyloctanoic acid is O=C(O)CCCCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-diphenylphosphanyloctanoic acid?
The InChIKey is PPQMJRXUQYJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2P/c21-20(22)16-10-2-1-3-11-17-23(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,16-17H2,(H,21,22).
What are the key properties of 8-diphenylphosphanyloctanoic acid?
8-diphenylphosphanyloctanoic acid has a molecular weight of 328.39 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenylphosphanyloctanoic acid is sourced from PubChem (CID 20679688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).