[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate

C14H19O5P — CID 54176683

IUPAC[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCc1ccccc1CO
InChIInChI=1S/C14H19O5P/c1-3-9-17-20(16,18-10-4-2)19-12-14-8-6-5-7-13(14)11-15/h3-8,15H,1-2,9-12H2
InChIKeyOYWQMZJVOMNWCW-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.21
Rot. Bonds10

About [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate

[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate (PubChem CID 54176683) has the molecular formula C14H19O5P and a molecular weight of 298.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate
PubChem CID54176683
Molecular FormulaC14H19O5P
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCc1ccccc1CO
InChIInChI=1S/C14H19O5P/c1-3-9-17-20(16,18-10-4-2)19-12-14-8-6-5-7-13(14)11-15/h3-8,15H,1-2,9-12H2
InChIKeyOYWQMZJVOMNWCW-UHFFFAOYSA-N
XLogP3.21
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate?
The IUPAC name of [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate (CID 54176683) is [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate.
What is the SMILES notation for [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate?
The canonical SMILES for [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate is C=CCOP(=O)(OCC=C)OCc1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate?
The InChIKey is OYWQMZJVOMNWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O5P/c1-3-9-17-20(16,18-10-4-2)19-12-14-8-6-5-7-13(14)11-15/h3-8,15H,1-2,9-12H2.
What are the key properties of [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate?
[2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate has a molecular weight of 298.28 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl]methyl bis(prop-2-enyl) phosphate is sourced from PubChem (CID 54176683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).