ethenyl-(2-prop-2-enylphenoxy)phosphinic acid

C11H13O3P — CID 87155476

IUPACethenyl-(2-prop-2-enylphenoxy)phosphinic acid
SMILESC=CCc1ccccc1OP(=O)(O)C=C
InChIInChI=1S/C11H13O3P/c1-3-7-10-8-5-6-9-11(10)14-15(12,13)4-2/h3-6,8-9H,1-2,7H2,(H,12,13)
InChIKeyQGLFHODSNCAPRR-UHFFFAOYSA-N
MW224.20 g/mol
LogP3.12
Rot. Bonds5

About ethenyl-(2-prop-2-enylphenoxy)phosphinic acid

ethenyl-(2-prop-2-enylphenoxy)phosphinic acid (PubChem CID 87155476) has the molecular formula C11H13O3P and a molecular weight of 224.20 g/mol. Its IUPAC name is ethenyl-(2-prop-2-enylphenoxy)phosphinic acid.

Molecular Properties

Compound Nameethenyl-(2-prop-2-enylphenoxy)phosphinic acid
PubChem CID87155476
Molecular FormulaC11H13O3P
Molecular Weight224.20 g/mol
Exact Mass224.06
IUPAC Nameethenyl-(2-prop-2-enylphenoxy)phosphinic acid
SMILESC=CCc1ccccc1OP(=O)(O)C=C
InChIInChI=1S/C11H13O3P/c1-3-7-10-8-5-6-9-11(10)14-15(12,13)4-2/h3-6,8-9H,1-2,7H2,(H,12,13)
InChIKeyQGLFHODSNCAPRR-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
hydroxy-(2-prop-2-enylphenoxy)-prop-2-enylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 88814487
3-(2-prop-2-enylphenoxy)prop-2-enyl dihydrogen phosphate
CID 70271994
[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
CID 87520334
(2-prop-2-enylphenyl) dihydrogen phosphate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87930976
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880

Frequently Asked Questions

What is the IUPAC name of ethenyl-(2-prop-2-enylphenoxy)phosphinic acid?
The IUPAC name of ethenyl-(2-prop-2-enylphenoxy)phosphinic acid (CID 87155476) is ethenyl-(2-prop-2-enylphenoxy)phosphinic acid.
What is the SMILES notation for ethenyl-(2-prop-2-enylphenoxy)phosphinic acid?
The canonical SMILES for ethenyl-(2-prop-2-enylphenoxy)phosphinic acid is C=CCc1ccccc1OP(=O)(O)C=C.
What is the InChIKey of ethenyl-(2-prop-2-enylphenoxy)phosphinic acid?
The InChIKey is QGLFHODSNCAPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3P/c1-3-7-10-8-5-6-9-11(10)14-15(12,13)4-2/h3-6,8-9H,1-2,7H2,(H,12,13).
What are the key properties of ethenyl-(2-prop-2-enylphenoxy)phosphinic acid?
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid has a molecular weight of 224.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(2-prop-2-enylphenoxy)phosphinic acid is sourced from PubChem (CID 87155476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).