methyl 6-bromo-3-ethoxy-2-methylbenzoate

C11H13BrO3 — CID 86723776

IUPACmethyl 6-bromo-3-ethoxy-2-methylbenzoate
SMILESCCOc1ccc(Br)c(C(=O)OC)c1C
InChIInChI=1S/C11H13BrO3/c1-4-15-9-6-5-8(12)10(7(9)2)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyMANFERMUFLRBTG-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.94
Rot. Bonds3

About methyl 6-bromo-3-ethoxy-2-methylbenzoate

methyl 6-bromo-3-ethoxy-2-methylbenzoate (PubChem CID 86723776) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 6-bromo-3-ethoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 6-bromo-3-ethoxy-2-methylbenzoate
PubChem CID86723776
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 6-bromo-3-ethoxy-2-methylbenzoate
SMILESCCOc1ccc(Br)c(C(=O)OC)c1C
InChIInChI=1S/C11H13BrO3/c1-4-15-9-6-5-8(12)10(7(9)2)11(13)14-3/h5-6H,4H2,1-3H3
InChIKeyMANFERMUFLRBTG-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 6-bromo-3-(2,2-difluoroethoxy)-2-methylbenzoate
CID 171369237
methyl 6-bromo-3-hydroxy-2-methylbenzoate
CID 77058981
(6-bromo-3-ethoxy-2-methylphenyl)-morpholin-4-ylmethanone
CID 171369332
ethyl 2-(6-bromo-3-ethoxy-2-fluorophenyl)-2-oxoacetate
CID 171368276
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
methyl 6-bromo-2-methyl-3-nitrobenzoate
CID 58919616
methyl 2-bromo-5-ethoxy-4-methylbenzoate
CID 175048680
methyl 6-bromo-3,4-diethoxy-2-fluorobenzoate
CID 88891029

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-ethoxy-2-methylbenzoate?
The IUPAC name of methyl 6-bromo-3-ethoxy-2-methylbenzoate (CID 86723776) is methyl 6-bromo-3-ethoxy-2-methylbenzoate.
What is the SMILES notation for methyl 6-bromo-3-ethoxy-2-methylbenzoate?
The canonical SMILES for methyl 6-bromo-3-ethoxy-2-methylbenzoate is CCOc1ccc(Br)c(C(=O)OC)c1C.
What is the InChIKey of methyl 6-bromo-3-ethoxy-2-methylbenzoate?
The InChIKey is MANFERMUFLRBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-4-15-9-6-5-8(12)10(7(9)2)11(13)14-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 6-bromo-3-ethoxy-2-methylbenzoate?
methyl 6-bromo-3-ethoxy-2-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 6-bromo-3-ethoxy-2-methylbenzoate is sourced from PubChem (CID 86723776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).