methyl 4-bromo-2-ethoxy-6-methylbenzoate

C11H13BrO3 — CID 133063068

IUPACmethyl 4-bromo-2-ethoxy-6-methylbenzoate
SMILESCCOc1cc(Br)cc(C)c1C(=O)OC
InChIInChI=1S/C11H13BrO3/c1-4-15-9-6-8(12)5-7(2)10(9)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyODRUDBSUFBNZHM-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.94
Rot. Bonds3

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

methyl 4-bromo-2-ethoxy-6-methylbenzoate (PubChem CID 133063068) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 4-bromo-2-ethoxy-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-bromo-2-ethoxy-6-methylbenzoate
PubChem CID133063068
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 4-bromo-2-ethoxy-6-methylbenzoate
SMILESCCOc1cc(Br)cc(C)c1C(=O)OC
InChIInChI=1S/C11H13BrO3/c1-4-15-9-6-8(12)5-7(2)10(9)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyODRUDBSUFBNZHM-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
methyl 2-bromo-5-ethoxy-4-methylbenzoate
CID 175048680
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
methyl 6-bromo-3,4-diethoxy-2-fluorobenzoate
CID 88891029
methyl 4-bromo-2-(2,2-difluoroethoxy)-6-fluorobenzoate
CID 155486835
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
5-bromo-1-ethoxy-2-methoxy-3-nitrobenzene;methyl acetate
CID 174439392
(4-bromo-2,6-dimethylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013394
methyl 4-(4-bromo-2,6-dimethylphenyl)-4-oxobutanoate
CID 146011126

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-ethoxy-6-methylbenzoate?
The IUPAC name of methyl 4-bromo-2-ethoxy-6-methylbenzoate (CID 133063068) is methyl 4-bromo-2-ethoxy-6-methylbenzoate.
What is the SMILES notation for methyl 4-bromo-2-ethoxy-6-methylbenzoate?
The canonical SMILES for methyl 4-bromo-2-ethoxy-6-methylbenzoate is CCOc1cc(Br)cc(C)c1C(=O)OC.
What is the InChIKey of methyl 4-bromo-2-ethoxy-6-methylbenzoate?
The InChIKey is ODRUDBSUFBNZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-4-15-9-6-8(12)5-7(2)10(9)11(13)14-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 4-bromo-2-ethoxy-6-methylbenzoate?
methyl 4-bromo-2-ethoxy-6-methylbenzoate has a molecular weight of 273.13 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-ethoxy-6-methylbenzoate is sourced from PubChem (CID 133063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).