(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid

C15H23O4P — CID 68802721

IUPAC(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid
SMILESCCOC(=O)CCP(=O)(O)CCC(C)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-3-19-15(16)10-12-20(17,18)11-9-13(2)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyROZMYAMINICHSQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.40
Rot. Bonds8

About (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid

(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid (PubChem CID 68802721) has the molecular formula C15H23O4P and a molecular weight of 298.32 g/mol. Its IUPAC name is (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid.

Molecular Properties

Compound Name(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid
PubChem CID68802721
Molecular FormulaC15H23O4P
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid
SMILESCCOC(=O)CCP(=O)(O)CCC(C)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-3-19-15(16)10-12-20(17,18)11-9-13(2)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,17,18)
InChIKeyROZMYAMINICHSQ-UHFFFAOYSA-N
XLogP3.40
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-6-phenylheptanoate
CID 158915322
3-phenylbutyl pentanoate
CID 101292557
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
2-ethoxycarbonyl-7-phenyloctanoic acid
CID 54027048
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
ethyl 6-(2-phenylpropylamino)hexanoate
CID 104591443
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
5-phenylhexyl hexanoate
CID 101292580
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid
CID 175265202

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid?
The IUPAC name of (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid (CID 68802721) is (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid.
What is the SMILES notation for (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid?
The canonical SMILES for (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid is CCOC(=O)CCP(=O)(O)CCC(C)c1ccccc1.
What is the InChIKey of (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid?
The InChIKey is ROZMYAMINICHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O4P/c1-3-19-15(16)10-12-20(17,18)11-9-13(2)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,17,18).
What are the key properties of (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid?
(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid has a molecular weight of 298.32 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid is sourced from PubChem (CID 68802721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).