dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate

C11H12O5 — CID 14671429

IUPACdimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(C)ccc(O)c1C(=O)OC
InChIInChI=1S/C11H12O5/c1-6-4-5-7(12)9(11(14)16-3)8(6)10(13)15-2/h4-5,12H,1-3H3
InChIKeyHBQRUHHBDAIZAC-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.27
Rot. Bonds2

About dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate

dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate (PubChem CID 14671429) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
PubChem CID14671429
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namedimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1c(C)ccc(O)c1C(=O)OC
InChIInChI=1S/C11H12O5/c1-6-4-5-7(12)9(11(14)16-3)8(6)10(13)15-2/h4-5,12H,1-3H3
InChIKeyHBQRUHHBDAIZAC-UHFFFAOYSA-N
XLogP1.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
dimethyl 3-hydroxy-6-trimethylsilylbenzene-1,2-dicarboxylate
CID 71658314
methyl 6-bromo-3-hydroxy-2-methylbenzoate
CID 77058981
dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380
dimethyl 2-amino-4-methylbenzene-1,3-dicarboxylate
CID 70548009
methyl 2-(chloromethyl)-3,6-dimethylbenzoate
CID 171019324
methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 3-amino-2-fluoro-6-methylbenzoate
CID 84768925
methyl 3-amino-2-bromo-6-methylbenzoate
CID 131481645
methyl 3-bromo-2-iodo-6-methylbenzoate
CID 171033899
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate (CID 14671429) is dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate is COC(=O)c1c(C)ccc(O)c1C(=O)OC.
What is the InChIKey of dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate?
The InChIKey is HBQRUHHBDAIZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6-4-5-7(12)9(11(14)16-3)8(6)10(13)15-2/h4-5,12H,1-3H3.
What are the key properties of dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate?
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate has a molecular weight of 224.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 14671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).