2-(4-diethoxyphosphanylphenyl)propanoic acid

C13H19O4P — CID 89471240

IUPAC2-(4-diethoxyphosphanylphenyl)propanoic acid
SMILESCCOP(OCC)c1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C13H19O4P/c1-4-16-18(17-5-2)12-8-6-11(7-9-12)10(3)13(14)15/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyISTQRYPHVSBFIW-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.88
Rot. Bonds7

About 2-(4-diethoxyphosphanylphenyl)propanoic acid

2-(4-diethoxyphosphanylphenyl)propanoic acid (PubChem CID 89471240) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-diethoxyphosphanylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-diethoxyphosphanylphenyl)propanoic acid
PubChem CID89471240
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-(4-diethoxyphosphanylphenyl)propanoic acid
SMILESCCOP(OCC)c1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C13H19O4P/c1-4-16-18(17-5-2)12-8-6-11(7-9-12)10(3)13(14)15/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyISTQRYPHVSBFIW-UHFFFAOYSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.88
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

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-(4-propylphenyl)propanoic acid
CID 14880971
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834

Frequently Asked Questions

What is the IUPAC name of 2-(4-diethoxyphosphanylphenyl)propanoic acid?
The IUPAC name of 2-(4-diethoxyphosphanylphenyl)propanoic acid (CID 89471240) is 2-(4-diethoxyphosphanylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-diethoxyphosphanylphenyl)propanoic acid?
The canonical SMILES for 2-(4-diethoxyphosphanylphenyl)propanoic acid is CCOP(OCC)c1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-(4-diethoxyphosphanylphenyl)propanoic acid?
The InChIKey is ISTQRYPHVSBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O4P/c1-4-16-18(17-5-2)12-8-6-11(7-9-12)10(3)13(14)15/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-diethoxyphosphanylphenyl)propanoic acid?
2-(4-diethoxyphosphanylphenyl)propanoic acid has a molecular weight of 270.26 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxyphosphanylphenyl)propanoic acid is sourced from PubChem (CID 89471240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).