1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate

C13H16O6 — CID 11402920

IUPAC1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
SMILESCCOC(=O)c1c(OC)cc(C(=O)OC)cc1OC
InChIInChI=1S/C13H16O6/c1-5-19-13(15)11-9(16-2)6-8(12(14)18-4)7-10(11)17-3/h6-7H,5H2,1-4H3
InChIKeyDYSWAEUHMAGOGJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.67
Rot. Bonds5

About 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate

1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate (PubChem CID 11402920) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
PubChem CID11402920
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
SMILESCCOC(=O)c1c(OC)cc(C(=O)OC)cc1OC
InChIInChI=1S/C13H16O6/c1-5-19-13(15)11-9(16-2)6-8(12(14)18-4)7-10(11)17-3/h6-7H,5H2,1-4H3
InChIKeyDYSWAEUHMAGOGJ-UHFFFAOYSA-N
XLogP1.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
ethyl 3-iodo-4,6-dimethoxy-2-methylbenzoate
CID 10871806
ethyl 3-amino-4-bromo-5-methoxybenzoate
CID 171021080
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
methyl 3-amino-4-(ethylamino)-5-methoxybenzoate
CID 129231428
ethyl 2-(chloromethyl)-4-fluoro-6-methoxybenzoate
CID 171019605
ethyl 3-cyano-4-hydroxy-5-methoxybenzoate
CID 134644106
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate?
The IUPAC name of 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate (CID 11402920) is 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate?
The canonical SMILES for 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate is CCOC(=O)c1c(OC)cc(C(=O)OC)cc1OC.
What is the InChIKey of 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate?
The InChIKey is DYSWAEUHMAGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-5-19-13(15)11-9(16-2)6-8(12(14)18-4)7-10(11)17-3/h6-7H,5H2,1-4H3.
What are the key properties of 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate?
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate has a molecular weight of 268.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate is sourced from PubChem (CID 11402920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).