[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid

C10H13O4P — CID 87520334

IUPAC[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
SMILESC=CCP(=O)(O)Oc1ccccc1CO
InChIInChI=1S/C10H13O4P/c1-2-7-15(12,13)14-10-6-4-3-5-9(10)8-11/h2-6,11H,1,7-8H2,(H,12,13)
InChIKeyRXLOUHXIHFMRLE-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.93
Rot. Bonds5

About [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid

[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid (PubChem CID 87520334) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
PubChem CID87520334
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid
SMILESC=CCP(=O)(O)Oc1ccccc1CO
InChIInChI=1S/C10H13O4P/c1-2-7-15(12,13)14-10-6-4-3-5-9(10)8-11/h2-6,11H,1,7-8H2,(H,12,13)
InChIKeyRXLOUHXIHFMRLE-UHFFFAOYSA-N
XLogP1.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
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

bis(2-prop-2-enylphenyl) hydrogen phosphate
CID 68656699
(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid
CID 87155307
(2-prop-2-enoxyphenyl)methanol
CID 11137475
ethenyl-(2-prop-2-enylphenoxy)phosphinic acid
CID 87155476
[2-(hydroxymethyl)phenyl] formate
CID 54203489
prop-2-enyl(quinoxalin-2-yloxy)phosphinic acid
CID 174387340
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol
CID 71341239
(2-hept-6-enoxyphenyl)methanol
CID 107007457
[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate
CID 54176683
[2-(2-methylprop-1-enoxy)phenyl]methanol
CID 121219203
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid?
The IUPAC name of [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid (CID 87520334) is [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid.
What is the SMILES notation for [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid?
The canonical SMILES for [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid is C=CCP(=O)(O)Oc1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid?
The InChIKey is RXLOUHXIHFMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P/c1-2-7-15(12,13)14-10-6-4-3-5-9(10)8-11/h2-6,11H,1,7-8H2,(H,12,13).
What are the key properties of [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid?
[2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid has a molecular weight of 228.18 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenoxy]-prop-2-enylphosphinic acid is sourced from PubChem (CID 87520334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).