2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate

C12H14O5 — CID 174563533

IUPAC2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cc(OC)ccc1C(=O)OC
InChIInChI=1S/C12H14O5/c1-4-17-12(14)10-7-8(15-2)5-6-9(10)11(13)16-3/h5-7H,4H2,1-3H3
InChIKeyJLWULRJIQNUJLG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.66
Rot. Bonds4

About 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate

2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate (PubChem CID 174563533) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
PubChem CID174563533
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
SMILESCCOC(=O)c1cc(OC)ccc1C(=O)OC
InChIInChI=1S/C12H14O5/c1-4-17-12(14)10-7-8(15-2)5-6-9(10)11(13)16-3/h5-7H,4H2,1-3H3
InChIKeyJLWULRJIQNUJLG-UHFFFAOYSA-N
XLogP1.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
4-(4-carboxy-3-ethoxycarbonylbenzoyl)-2-methoxycarbonylbenzoic acid
CID 54450854
2-ethoxycarbonyl-5-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91879093
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate?
The IUPAC name of 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate (CID 174563533) is 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate is CCOC(=O)c1cc(OC)ccc1C(=O)OC.
What is the InChIKey of 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate?
The InChIKey is JLWULRJIQNUJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-4-17-12(14)10-7-8(15-2)5-6-9(10)11(13)16-3/h5-7H,4H2,1-3H3.
What are the key properties of 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate?
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate is sourced from PubChem (CID 174563533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).