methyl 4-bromo-2-ethyl-6-methylbenzoate

C11H13BrO2 — CID 130064455

IUPACmethyl 4-bromo-2-ethyl-6-methylbenzoate
SMILESCCc1cc(Br)cc(C)c1C(=O)OC
InChIInChI=1S/C11H13BrO2/c1-4-8-6-9(12)5-7(2)10(8)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyZBBBOGURXQCGRX-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.11
Rot. Bonds2

About methyl 4-bromo-2-ethyl-6-methylbenzoate

methyl 4-bromo-2-ethyl-6-methylbenzoate (PubChem CID 130064455) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is methyl 4-bromo-2-ethyl-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-bromo-2-ethyl-6-methylbenzoate
PubChem CID130064455
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Namemethyl 4-bromo-2-ethyl-6-methylbenzoate
SMILESCCc1cc(Br)cc(C)c1C(=O)OC
InChIInChI=1S/C11H13BrO2/c1-4-8-6-9(12)5-7(2)10(8)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyZBBBOGURXQCGRX-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
CID 177341321
CID 177341321
4-bromo-2,6-diethylbenzamide
CID 68757322
methyl 5-bromo-3-(hydroxymethyl)-2-methylbenzoate
CID 170130519
methyl 4-(4-bromo-2,6-dimethylphenyl)-4-oxobutanoate
CID 146011126
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
methyl 2-bromo-4-cyano-6-ethylbenzoate
CID 131265909
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
methyl 2-[5-bromo-2-(bromomethyl)-3-methylphenyl]acetate
CID 171023295
methyl 5-(4-bromo-2,6-dimethylphenyl)-5-oxopentanoate
CID 146011138
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
methyl 3-bromo-2,4-dihydroxy-6-methylbenzoate
CID 10858235

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-ethyl-6-methylbenzoate?
The IUPAC name of methyl 4-bromo-2-ethyl-6-methylbenzoate (CID 130064455) is methyl 4-bromo-2-ethyl-6-methylbenzoate.
What is the SMILES notation for methyl 4-bromo-2-ethyl-6-methylbenzoate?
The canonical SMILES for methyl 4-bromo-2-ethyl-6-methylbenzoate is CCc1cc(Br)cc(C)c1C(=O)OC.
What is the InChIKey of methyl 4-bromo-2-ethyl-6-methylbenzoate?
The InChIKey is ZBBBOGURXQCGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-4-8-6-9(12)5-7(2)10(8)11(13)14-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 4-bromo-2-ethyl-6-methylbenzoate?
methyl 4-bromo-2-ethyl-6-methylbenzoate has a molecular weight of 257.13 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-ethyl-6-methylbenzoate is sourced from PubChem (CID 130064455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).