trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate

C14H16O7 — CID 173058524

IUPACtrimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(OC)c(C(=O)OC)c1C
InChIInChI=1S/C14H16O7/c1-7-8(12(15)19-3)6-9(13(16)20-4)11(18-2)10(7)14(17)21-5/h6H,1-5H3
InChIKeyZAUITLOGCYHVNB-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.36
Rot. Bonds4

About trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate

trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate (PubChem CID 173058524) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
PubChem CID173058524
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Nametrimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(OC)c(C(=O)OC)c1C
InChIInChI=1S/C14H16O7/c1-7-8(12(15)19-3)6-9(13(16)20-4)11(18-2)10(7)14(17)21-5/h6H,1-5H3
InChIKeyZAUITLOGCYHVNB-UHFFFAOYSA-N
XLogP1.36
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-amino-3-methoxy-2,5-dimethylbenzoate
CID 84780550
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 3-tert-butyl-5-iodo-2-methoxy-6-methylbenzoate
CID 87622836

Frequently Asked Questions

What is the IUPAC name of trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate?
The IUPAC name of trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate (CID 173058524) is trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate.
What is the SMILES notation for trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate?
The canonical SMILES for trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate is COC(=O)c1cc(C(=O)OC)c(OC)c(C(=O)OC)c1C.
What is the InChIKey of trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate?
The InChIKey is ZAUITLOGCYHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c1-7-8(12(15)19-3)6-9(13(16)20-4)11(18-2)10(7)14(17)21-5/h6H,1-5H3.
What are the key properties of trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate?
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate has a molecular weight of 296.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate is sourced from PubChem (CID 173058524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).