methoxymethyl diphenyl phosphate

C14H15O5P — CID 18345572

IUPACmethoxymethyl diphenyl phosphate
SMILESCOCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15O5P/c1-16-12-17-20(15,18-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyASUPJIJMEJUTSC-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.87
Rot. Bonds7

About methoxymethyl diphenyl phosphate

methoxymethyl diphenyl phosphate (PubChem CID 18345572) has the molecular formula C14H15O5P and a molecular weight of 294.24 g/mol. Its IUPAC name is methoxymethyl diphenyl phosphate.

Molecular Properties

Compound Namemethoxymethyl diphenyl phosphate
PubChem CID18345572
Molecular FormulaC14H15O5P
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Namemethoxymethyl diphenyl phosphate
SMILESCOCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15O5P/c1-16-12-17-20(15,18-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyASUPJIJMEJUTSC-UHFFFAOYSA-N
XLogP3.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
2-methylpropane;triphenyl phosphate
CID 91193965
hexyl diphenyl phosphate
CID 13389453
[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate
CID 15829161
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196

Frequently Asked Questions

What is the IUPAC name of methoxymethyl diphenyl phosphate?
The IUPAC name of methoxymethyl diphenyl phosphate (CID 18345572) is methoxymethyl diphenyl phosphate.
What is the SMILES notation for methoxymethyl diphenyl phosphate?
The canonical SMILES for methoxymethyl diphenyl phosphate is COCOP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of methoxymethyl diphenyl phosphate?
The InChIKey is ASUPJIJMEJUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O5P/c1-16-12-17-20(15,18-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of methoxymethyl diphenyl phosphate?
methoxymethyl diphenyl phosphate has a molecular weight of 294.24 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl diphenyl phosphate is sourced from PubChem (CID 18345572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).