diethoxyphosphorylmethyl 2-methoxybenzoate

C13H19O6P — CID 57457787

IUPACdiethoxyphosphorylmethyl 2-methoxybenzoate
SMILESCCOP(=O)(COC(=O)c1ccccc1OC)OCC
InChIInChI=1S/C13H19O6P/c1-4-18-20(15,19-5-2)10-17-13(14)11-8-6-7-9-12(11)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyMGRCFKQGERJMCY-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.08
Rot. Bonds8

About diethoxyphosphorylmethyl 2-methoxybenzoate

diethoxyphosphorylmethyl 2-methoxybenzoate (PubChem CID 57457787) has the molecular formula C13H19O6P and a molecular weight of 302.26 g/mol. Its IUPAC name is diethoxyphosphorylmethyl 2-methoxybenzoate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl 2-methoxybenzoate
PubChem CID57457787
Molecular FormulaC13H19O6P
Molecular Weight302.26 g/mol
Exact Mass302.09
IUPAC Namediethoxyphosphorylmethyl 2-methoxybenzoate
SMILESCCOP(=O)(COC(=O)c1ccccc1OC)OCC
InChIInChI=1S/C13H19O6P/c1-4-18-20(15,19-5-2)10-17-13(14)11-8-6-7-9-12(11)16-3/h6-9H,4-5,10H2,1-3H3
InChIKeyMGRCFKQGERJMCY-UHFFFAOYSA-N
XLogP3.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.08
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

diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-oxoethyl 2-methoxybenzoate
CID 87871956
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
2-methoxybenzohydrazide
CID 24051
ethane;methyl 2-methoxybenzoate
CID 178037044
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
butan-2-yl 2-methoxybenzenecarboperoxoate
CID 173265515
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethyl 2-methoxybenzoate?
The IUPAC name of diethoxyphosphorylmethyl 2-methoxybenzoate (CID 57457787) is diethoxyphosphorylmethyl 2-methoxybenzoate.
What is the SMILES notation for diethoxyphosphorylmethyl 2-methoxybenzoate?
The canonical SMILES for diethoxyphosphorylmethyl 2-methoxybenzoate is CCOP(=O)(COC(=O)c1ccccc1OC)OCC.
What is the InChIKey of diethoxyphosphorylmethyl 2-methoxybenzoate?
The InChIKey is MGRCFKQGERJMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O6P/c1-4-18-20(15,19-5-2)10-17-13(14)11-8-6-7-9-12(11)16-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of diethoxyphosphorylmethyl 2-methoxybenzoate?
diethoxyphosphorylmethyl 2-methoxybenzoate has a molecular weight of 302.26 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl 2-methoxybenzoate is sourced from PubChem (CID 57457787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).