dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate

C12H14O6 — CID 10682339

IUPACdimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(OC)c1OC
InChIInChI=1S/C12H14O6/c1-15-9-7(11(13)17-3)5-6-8(10(9)16-2)12(14)18-4/h5-6H,1-4H3
InChIKeyHKXGRJBBDZXTFO-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.28
Rot. Bonds4

About dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate

dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate (PubChem CID 10682339) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
PubChem CID10682339
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Namedimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(OC)c1OC
InChIInChI=1S/C12H14O6/c1-15-9-7(11(13)17-3)5-6-8(10(9)16-2)12(14)18-4/h5-6H,1-4H3
InChIKeyHKXGRJBBDZXTFO-UHFFFAOYSA-N
XLogP1.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380
methyl 3,4-bis(bromomethyl)-2-methoxybenzoate
CID 141367538
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 3-fluoro-4-iodo-2-methoxybenzoate
CID 98041703
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 3-(bromomethyl)-4-cyano-2-methoxybenzoate
CID 131299469
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate (CID 10682339) is dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(OC)c1OC.
What is the InChIKey of dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate?
The InChIKey is HKXGRJBBDZXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-15-9-7(11(13)17-3)5-6-8(10(9)16-2)12(14)18-4/h5-6H,1-4H3.
What are the key properties of dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate?
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate has a molecular weight of 254.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate is sourced from PubChem (CID 10682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).