dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate

C12H14O5 — CID 121010380

IUPACdimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
SMILESCOC(=O)c1ccc(C)c(C(=O)OC)c1OC
InChIInChI=1S/C12H14O5/c1-7-5-6-8(11(13)16-3)10(15-2)9(7)12(14)17-4/h5-6H,1-4H3
InChIKeyPHXNINPKTOALGY-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.58
Rot. Bonds3

About dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate

dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate (PubChem CID 121010380) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
PubChem CID121010380
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namedimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
SMILESCOC(=O)c1ccc(C)c(C(=O)OC)c1OC
InChIInChI=1S/C12H14O5/c1-7-5-6-8(11(13)16-3)10(15-2)9(7)12(14)17-4/h5-6H,1-4H3
InChIKeyPHXNINPKTOALGY-UHFFFAOYSA-N
XLogP1.58
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
CID 173058524
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
methyl 3-hydroxy-2,4-dimethylbenzoate
CID 118991641
methyl 8-methylisoquinoline-5-carboxylate
CID 82574567
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate (CID 121010380) is dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate is COC(=O)c1ccc(C)c(C(=O)OC)c1OC.
What is the InChIKey of dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate?
The InChIKey is PHXNINPKTOALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-7-5-6-8(11(13)16-3)10(15-2)9(7)12(14)17-4/h5-6H,1-4H3.
What are the key properties of dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate?
dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate has a molecular weight of 238.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate is sourced from PubChem (CID 121010380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).