methyl 3,6-dimethoxy-2-methylbenzoate

C11H14O4 — CID 10536412

IUPACmethyl 3,6-dimethoxy-2-methylbenzoate
SMILESCOC(=O)c1c(OC)ccc(OC)c1C
InChIInChI=1S/C11H14O4/c1-7-8(13-2)5-6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3
InChIKeyHIUOZFLZLCYGFA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds3

About methyl 3,6-dimethoxy-2-methylbenzoate

methyl 3,6-dimethoxy-2-methylbenzoate (PubChem CID 10536412) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3,6-dimethoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3,6-dimethoxy-2-methylbenzoate
PubChem CID10536412
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3,6-dimethoxy-2-methylbenzoate
SMILESCOC(=O)c1c(OC)ccc(OC)c1C
InChIInChI=1S/C11H14O4/c1-7-8(13-2)5-6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3
InChIKeyHIUOZFLZLCYGFA-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 162581639
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
ethyl 2-(3,6-dimethoxy-2-methylphenyl)-2-oxoacetate
CID 117383449
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417

Frequently Asked Questions

What is the IUPAC name of methyl 3,6-dimethoxy-2-methylbenzoate?
The IUPAC name of methyl 3,6-dimethoxy-2-methylbenzoate (CID 10536412) is methyl 3,6-dimethoxy-2-methylbenzoate.
What is the SMILES notation for methyl 3,6-dimethoxy-2-methylbenzoate?
The canonical SMILES for methyl 3,6-dimethoxy-2-methylbenzoate is COC(=O)c1c(OC)ccc(OC)c1C.
What is the InChIKey of methyl 3,6-dimethoxy-2-methylbenzoate?
The InChIKey is HIUOZFLZLCYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-8(13-2)5-6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3.
What are the key properties of methyl 3,6-dimethoxy-2-methylbenzoate?
methyl 3,6-dimethoxy-2-methylbenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,6-dimethoxy-2-methylbenzoate is sourced from PubChem (CID 10536412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).