methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate

C12H15BrO3 — CID 141293494

IUPACmethyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1cc(Br)ccc1C
InChIInChI=1S/C12H15BrO3/c1-8-5-6-9(13)7-10(8)16-12(2,3)11(14)15-4/h5-7H,1-4H3
InChIKeyCFFGDWXBCFWAKP-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.09
Rot. Bonds3

About methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate

methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate (PubChem CID 141293494) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate
PubChem CID141293494
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Namemethyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1cc(Br)ccc1C
InChIInChI=1S/C12H15BrO3/c1-8-5-6-9(13)7-10(8)16-12(2,3)11(14)15-4/h5-7H,1-4H3
InChIKeyCFFGDWXBCFWAKP-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-bromo-2-nitrophenoxy)-2-methylpropanoate
CID 126645197
methyl 4-(5-bromo-2-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 112752353
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195
3-(5-bromo-2-methylphenoxy)-2-hydroxy-2-methylpropanoic acid
CID 107283122
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
methyl 3-(4-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoate
CID 104643651
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
methyl 2-(3-amino-2-methylphenoxy)-2-methylpropanoate
CID 58136536
methyl 2-[3-(5-bromo-2-methylphenyl)oxetan-3-yl]-2-methylpropanoate
CID 116873617
methyl 3-[4-bromo-2-(trifluoromethoxy)anilino]-2-hydroxy-2-methylpropanoate
CID 103193251
methyl 3-(5-bromo-2-fluorophenoxy)-2-hydroxy-2-methylpropanoate
CID 114671564

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate?
The IUPAC name of methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate (CID 141293494) is methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate is COC(=O)C(C)(C)Oc1cc(Br)ccc1C.
What is the InChIKey of methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate?
The InChIKey is CFFGDWXBCFWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-8-5-6-9(13)7-10(8)16-12(2,3)11(14)15-4/h5-7H,1-4H3.
What are the key properties of methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate?
methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate has a molecular weight of 287.15 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-methylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 141293494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).