methyl 2-bromo-3,4,5,6-tetramethylbenzoate

C12H15BrO2 — CID 617466

IUPACmethyl 2-bromo-3,4,5,6-tetramethylbenzoate
SMILESCOC(=O)c1c(C)c(C)c(C)c(C)c1Br
InChIInChI=1S/C12H15BrO2/c1-6-7(2)9(4)11(13)10(8(6)3)12(14)15-5/h1-5H3
InChIKeyUJZJJBPTAXFEDF-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.47
Rot. Bonds1

About methyl 2-bromo-3,4,5,6-tetramethylbenzoate

methyl 2-bromo-3,4,5,6-tetramethylbenzoate (PubChem CID 617466) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is methyl 2-bromo-3,4,5,6-tetramethylbenzoate.

Molecular Properties

Compound Namemethyl 2-bromo-3,4,5,6-tetramethylbenzoate
PubChem CID617466
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Namemethyl 2-bromo-3,4,5,6-tetramethylbenzoate
SMILESCOC(=O)c1c(C)c(C)c(C)c(C)c1Br
InChIInChI=1S/C12H15BrO2/c1-6-7(2)9(4)11(13)10(8(6)3)12(14)15-5/h1-5H3
InChIKeyUJZJJBPTAXFEDF-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-bromo-3,4,5,6-tetramethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
dimethyl 3-bromo-4,5-dimethylbenzene-1,2-dicarboxylate
CID 164920115
methyl 2,6-dibromo-3,5-dihydroxybenzoate
CID 2748027
methyl 3,5-dibromo-2-hydroxy-6-methyl-4-(2,4,6-tribromo-3-hydroxy-5-methylphenoxy)benzoate
CID 71665372
methyl 6-bromo-3-hydroxy-2-methylbenzoate
CID 77058981
dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate
CID 15707254
methyl 3-amino-2-bromo-6-methylbenzoate
CID 131481645
methyl 2-amino-6-bromo-3,5-dimethylbenzoate
CID 102741946
methyl 3-bromo-2,4-dihydroxy-6-methylbenzoate
CID 10858235
dimethyl 1,3,5-trimethylpyrrole-2,4-dicarboxylate
CID 10036603
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3,4,5,6-tetramethylbenzoate?
The IUPAC name of methyl 2-bromo-3,4,5,6-tetramethylbenzoate (CID 617466) is methyl 2-bromo-3,4,5,6-tetramethylbenzoate.
What is the SMILES notation for methyl 2-bromo-3,4,5,6-tetramethylbenzoate?
The canonical SMILES for methyl 2-bromo-3,4,5,6-tetramethylbenzoate is COC(=O)c1c(C)c(C)c(C)c(C)c1Br.
What is the InChIKey of methyl 2-bromo-3,4,5,6-tetramethylbenzoate?
The InChIKey is UJZJJBPTAXFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-6-7(2)9(4)11(13)10(8(6)3)12(14)15-5/h1-5H3.
What are the key properties of methyl 2-bromo-3,4,5,6-tetramethylbenzoate?
methyl 2-bromo-3,4,5,6-tetramethylbenzoate has a molecular weight of 271.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3,4,5,6-tetramethylbenzoate is sourced from PubChem (CID 617466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).