[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate

C19H19O7P — CID 171770996

IUPAC[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate
SMILESC=CCP(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1
InChIInChI=1S/C19H19O7P/c1-2-13-27(22,25-14-23-18(20)16-9-5-3-6-10-16)26-15-24-19(21)17-11-7-4-8-12-17/h2-12H,1,13-15H2
InChIKeyUMHIHJHAFYQPKH-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.03
Rot. Bonds10

About [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate

[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate (PubChem CID 171770996) has the molecular formula C19H19O7P and a molecular weight of 390.33 g/mol. Its IUPAC name is [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate.

Molecular Properties

Compound Name[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate
PubChem CID171770996
Molecular FormulaC19H19O7P
Molecular Weight390.33 g/mol
Exact Mass390.09
IUPAC Name[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate
SMILESC=CCP(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1
InChIInChI=1S/C19H19O7P/c1-2-13-27(22,25-14-23-18(20)16-9-5-3-6-10-16)26-15-24-19(21)17-11-7-4-8-12-17/h2-12H,1,13-15H2
InChIKeyUMHIHJHAFYQPKH-UHFFFAOYSA-N
XLogP4.03
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

formic acid;prop-2-enyl benzoate
CID 174813743
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
[(2R)-2-(diphenylphosphorylmethyl)pent-4-enyl] benzoate
CID 25267228
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-methoxyethoxymethyl benzoate
CID 11275823
[(2R)-2-hydroxypent-4-enyl] benzoate
CID 11106524
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
[(E)-4-bromobut-2-enyl] benzoate
CID 14236878
4-[4-benzoyloxybutoxy(hydroxy)phosphoryl]oxybutyl benzoate
CID 139925277
2-dimethoxyphosphorylethyl benzoate
CID 174516392
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400

Frequently Asked Questions

What is the IUPAC name of [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate?
The IUPAC name of [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate (CID 171770996) is [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate.
What is the SMILES notation for [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate?
The canonical SMILES for [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate is C=CCP(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1.
What is the InChIKey of [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate?
The InChIKey is UMHIHJHAFYQPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O7P/c1-2-13-27(22,25-14-23-18(20)16-9-5-3-6-10-16)26-15-24-19(21)17-11-7-4-8-12-17/h2-12H,1,13-15H2.
What are the key properties of [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate?
[benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate has a molecular weight of 390.33 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxymethoxy(prop-2-enyl)phosphoryl]oxymethyl benzoate is sourced from PubChem (CID 171770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).