2-diphenylphosphanylundecanoic acid

C23H31O2P — CID 140969530

IUPAC2-diphenylphosphanylundecanoic acid
SMILESCCCCCCCCCC(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31O2P/c1-2-3-4-5-6-7-14-19-22(23(24)25)26(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,2-7,14,19H2,1H3,(H,24,25)
InChIKeyODUDIJULPUJHHD-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.71
Rot. Bonds12

About 2-diphenylphosphanylundecanoic acid

2-diphenylphosphanylundecanoic acid (PubChem CID 140969530) has the molecular formula C23H31O2P and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-diphenylphosphanylundecanoic acid.

Molecular Properties

Compound Name2-diphenylphosphanylundecanoic acid
PubChem CID140969530
Molecular FormulaC23H31O2P
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-diphenylphosphanylundecanoic acid
SMILESCCCCCCCCCC(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31O2P/c1-2-3-4-5-6-7-14-19-22(23(24)25)26(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,2-7,14,19H2,1H3,(H,24,25)
InChIKeyODUDIJULPUJHHD-UHFFFAOYSA-N
XLogP5.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.71
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'}

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Related Compounds

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2-benzyldodecanoic acid
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diphenyl(1-phenylheptan-2-yl)phosphane
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2-phenylsulfanyltetradecanoic acid
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CID 59112992
octanoic acid;triphenylphosphane;hydrobromide
CID 173304615
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
10-hydroxy-2-phenyloctadecanoic acid
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CID 12794259

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylundecanoic acid?
The IUPAC name of 2-diphenylphosphanylundecanoic acid (CID 140969530) is 2-diphenylphosphanylundecanoic acid.
What is the SMILES notation for 2-diphenylphosphanylundecanoic acid?
The canonical SMILES for 2-diphenylphosphanylundecanoic acid is CCCCCCCCCC(C(=O)O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylundecanoic acid?
The InChIKey is ODUDIJULPUJHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P/c1-2-3-4-5-6-7-14-19-22(23(24)25)26(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,2-7,14,19H2,1H3,(H,24,25).
What are the key properties of 2-diphenylphosphanylundecanoic acid?
2-diphenylphosphanylundecanoic acid has a molecular weight of 370.47 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylundecanoic acid is sourced from PubChem (CID 140969530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).