4-diphenylphosphorylbutanoic acid

C16H17O3P — CID 3568824

IUPAC4-diphenylphosphorylbutanoic acid
SMILESO=C(O)CCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c17-16(18)12-7-13-20(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,17,18)
InChIKeyNOANBYYFJGONTF-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.87
Rot. Bonds6

About 4-diphenylphosphorylbutanoic acid

4-diphenylphosphorylbutanoic acid (PubChem CID 3568824) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-diphenylphosphorylbutanoic acid.

Molecular Properties

Compound Name4-diphenylphosphorylbutanoic acid
PubChem CID3568824
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-diphenylphosphorylbutanoic acid
SMILESO=C(O)CCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O3P/c17-16(18)12-7-13-20(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,17,18)
InChIKeyNOANBYYFJGONTF-UHFFFAOYSA-N
XLogP2.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphorylbutanoic acid?
The IUPAC name of 4-diphenylphosphorylbutanoic acid (CID 3568824) is 4-diphenylphosphorylbutanoic acid.
What is the SMILES notation for 4-diphenylphosphorylbutanoic acid?
The canonical SMILES for 4-diphenylphosphorylbutanoic acid is O=C(O)CCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphorylbutanoic acid?
The InChIKey is NOANBYYFJGONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c17-16(18)12-7-13-20(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,17,18).
What are the key properties of 4-diphenylphosphorylbutanoic acid?
4-diphenylphosphorylbutanoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphorylbutanoic acid is sourced from PubChem (CID 3568824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).