(3,5-dimethoxyphenyl)methyl diethyl phosphate

C13H21O6P — CID 10828324

IUPAC(3,5-dimethoxyphenyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21O6P/c1-5-17-20(14,18-6-2)19-10-11-7-12(15-3)9-13(8-11)16-4/h7-9H,5-6,10H2,1-4H3
InChIKeyGWZDRGNPUJRUFW-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.40
Rot. Bonds9

About (3,5-dimethoxyphenyl)methyl diethyl phosphate

(3,5-dimethoxyphenyl)methyl diethyl phosphate (PubChem CID 10828324) has the molecular formula C13H21O6P and a molecular weight of 304.28 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl diethyl phosphate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl diethyl phosphate
PubChem CID10828324
Molecular FormulaC13H21O6P
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name(3,5-dimethoxyphenyl)methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21O6P/c1-5-17-20(14,18-6-2)19-10-11-7-12(15-3)9-13(8-11)16-4/h7-9H,5-6,10H2,1-4H3
InChIKeyGWZDRGNPUJRUFW-UHFFFAOYSA-N
XLogP3.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
[3-(diethoxyphosphoryloxymethyl)phenyl] acetate
CID 57391514
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] diethyl phosphate
CID 10319264
butan-2-yl 3,5-dimethoxybenzenecarboperoxoate
CID 173266268
2-[[3-(diethoxyphosphorylmethyl)-5-methoxyphenoxy]methoxy]ethyl-trimethylsilane
CID 175357377
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl diethyl phosphate?
The IUPAC name of (3,5-dimethoxyphenyl)methyl diethyl phosphate (CID 10828324) is (3,5-dimethoxyphenyl)methyl diethyl phosphate.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl diethyl phosphate?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl diethyl phosphate is CCOP(=O)(OCC)OCc1cc(OC)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl diethyl phosphate?
The InChIKey is GWZDRGNPUJRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O6P/c1-5-17-20(14,18-6-2)19-10-11-7-12(15-3)9-13(8-11)16-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)methyl diethyl phosphate?
(3,5-dimethoxyphenyl)methyl diethyl phosphate has a molecular weight of 304.28 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl diethyl phosphate is sourced from PubChem (CID 10828324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).