(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid

C12H15O4P — CID 58971179

IUPAC(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
SMILESC=CCOC(=O)CCP(=O)(O)c1ccccc1
InChIInChI=1S/C12H15O4P/c1-2-9-16-12(13)8-10-17(14,15)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,15)
InChIKeyOZYWXGGKLOENQX-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.70
Rot. Bonds6

About (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid

(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid (PubChem CID 58971179) has the molecular formula C12H15O4P and a molecular weight of 254.22 g/mol. Its IUPAC name is (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid.

Molecular Properties

Compound Name(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
PubChem CID58971179
Molecular FormulaC12H15O4P
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
SMILESC=CCOC(=O)CCP(=O)(O)c1ccccc1
InChIInChI=1S/C12H15O4P/c1-2-9-16-12(13)8-10-17(14,15)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,15)
InChIKeyOZYWXGGKLOENQX-UHFFFAOYSA-N
XLogP1.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-methyl-3-[(3-oxo-3-prop-2-enoxypropyl)-phenylphosphoryl]propanoate
CID 131880994
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 90760124
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 174529163
prop-2-enyl 2-phenylsulfanylacetate
CID 12778583
[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
CID 15697074
prop-2-enyl 2-dimethylphosphorylacetate
CID 89403002
phosphoric acid;prop-2-enoxybenzene
CID 66665136
5-O-(5-hydroxy-2-phenylphenyl) 1-O-prop-2-enyl pentanedioate
CID 70400731
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629

Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid?
The IUPAC name of (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid (CID 58971179) is (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid.
What is the SMILES notation for (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid?
The canonical SMILES for (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid is C=CCOC(=O)CCP(=O)(O)c1ccccc1.
What is the InChIKey of (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid?
The InChIKey is OZYWXGGKLOENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O4P/c1-2-9-16-12(13)8-10-17(14,15)11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,15).
What are the key properties of (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid?
(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid has a molecular weight of 254.22 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid is sourced from PubChem (CID 58971179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).