phenoxy-(4-prop-2-enylphenyl)phosphinic acid

C15H15O3P — CID 141245969

IUPACphenoxy-(4-prop-2-enylphenyl)phosphinic acid
SMILESC=CCc1ccc(P(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15O3P/c1-2-6-13-9-11-15(12-10-13)19(16,17)18-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,16,17)
InChIKeyABWMQYFRTZVTJH-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.30
Rot. Bonds5

About phenoxy-(4-prop-2-enylphenyl)phosphinic acid

phenoxy-(4-prop-2-enylphenyl)phosphinic acid (PubChem CID 141245969) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is phenoxy-(4-prop-2-enylphenyl)phosphinic acid.

Molecular Properties

Compound Namephenoxy-(4-prop-2-enylphenyl)phosphinic acid
PubChem CID141245969
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Namephenoxy-(4-prop-2-enylphenyl)phosphinic acid
SMILESC=CCc1ccc(P(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C15H15O3P/c1-2-6-13-9-11-15(12-10-13)19(16,17)18-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,16,17)
InChIKeyABWMQYFRTZVTJH-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.30
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

(4-prop-2-enylphenyl)phosphonic acid
CID 67861576
[4-(4-butylphenyl)phenyl]-phenoxyphosphinic acid
CID 141245968
phenoxy(phenyl)phosphinic acid;phosphenous acid
CID 174870906
but-1-enylphosphonic acid;phenoxy(phenyl)phosphinic acid
CID 175892525
prop-2-enylbenzene
CID 159998516
phosphoric acid;prop-2-enoxybenzene
CID 66665136
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
phenyl [2,3,4-tris(prop-2-enyl)phenyl] hydrogen phosphate
CID 67292984
phenyl phosphono prop-2-enyl phosphate
CID 88721079

Frequently Asked Questions

What is the IUPAC name of phenoxy-(4-prop-2-enylphenyl)phosphinic acid?
The IUPAC name of phenoxy-(4-prop-2-enylphenyl)phosphinic acid (CID 141245969) is phenoxy-(4-prop-2-enylphenyl)phosphinic acid.
What is the SMILES notation for phenoxy-(4-prop-2-enylphenyl)phosphinic acid?
The canonical SMILES for phenoxy-(4-prop-2-enylphenyl)phosphinic acid is C=CCc1ccc(P(=O)(O)Oc2ccccc2)cc1.
What is the InChIKey of phenoxy-(4-prop-2-enylphenyl)phosphinic acid?
The InChIKey is ABWMQYFRTZVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-2-6-13-9-11-15(12-10-13)19(16,17)18-14-7-4-3-5-8-14/h2-5,7-12H,1,6H2,(H,16,17).
What are the key properties of phenoxy-(4-prop-2-enylphenyl)phosphinic acid?
phenoxy-(4-prop-2-enylphenyl)phosphinic acid has a molecular weight of 274.26 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy-(4-prop-2-enylphenyl)phosphinic acid is sourced from PubChem (CID 141245969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).