diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate

C21H22O7 — CID 8023220

IUPACdiethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OC(=O)Cc2ccccc2OC)cc(C(=O)OCC)c1
InChIInChI=1S/C21H22O7/c1-4-26-20(23)15-10-16(21(24)27-5-2)12-17(11-15)28-19(22)13-14-8-6-7-9-18(14)25-3/h6-12H,4-5,13H2,1-3H3
InChIKeyJGNGOBNVXQDNSE-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.20
Rot. Bonds8

About diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate

diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate (PubChem CID 8023220) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate
PubChem CID8023220
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Namediethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OC(=O)Cc2ccccc2OC)cc(C(=O)OCC)c1
InChIInChI=1S/C21H22O7/c1-4-26-20(23)15-10-16(21(24)27-5-2)12-17(11-15)28-19(22)13-14-8-6-7-9-18(14)25-3/h6-12H,4-5,13H2,1-3H3
InChIKeyJGNGOBNVXQDNSE-UHFFFAOYSA-N
XLogP3.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate
CID 74224124
3-ethoxycarbonyl-5-methoxybenzoic acid
CID 15472357
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
CID 14739655
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate (CID 8023220) is diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate is CCOC(=O)c1cc(OC(=O)Cc2ccccc2OC)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate?
The InChIKey is JGNGOBNVXQDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-4-26-20(23)15-10-16(21(24)27-5-2)12-17(11-15)28-19(22)13-14-8-6-7-9-18(14)25-3/h6-12H,4-5,13H2,1-3H3.
What are the key properties of diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate?
diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate has a molecular weight of 386.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[2-(2-methoxyphenyl)acetyl]oxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 8023220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).