methyl 3-(5-bromo-2-methylphenoxy)propanoate

C11H13BrO3 — CID 107283195

IUPACmethyl 3-(5-bromo-2-methylphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(Br)ccc1C
InChIInChI=1S/C11H13BrO3/c1-8-3-4-9(12)7-10(8)15-6-5-11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyLGAQZWJXZPFJGU-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.70
Rot. Bonds4

About methyl 3-(5-bromo-2-methylphenoxy)propanoate

methyl 3-(5-bromo-2-methylphenoxy)propanoate (PubChem CID 107283195) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 3-(5-bromo-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-bromo-2-methylphenoxy)propanoate
PubChem CID107283195
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Namemethyl 3-(5-bromo-2-methylphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(Br)ccc1C
InChIInChI=1S/C11H13BrO3/c1-8-3-4-9(12)7-10(8)15-6-5-11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyLGAQZWJXZPFJGU-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-acetyl-4-bromophenoxy)propanoate
CID 63949521
methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
CID 107655871
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
4-(5-bromo-2-methylphenoxy)-1-phenylbutan-1-one
CID 107285074
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172
methyl 3-[3-(2,5-dimethylphenoxy)propanoyl-methylamino]propanoate
CID 61243938
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromo-2-methylphenoxy)propanoate?
The IUPAC name of methyl 3-(5-bromo-2-methylphenoxy)propanoate (CID 107283195) is methyl 3-(5-bromo-2-methylphenoxy)propanoate.
What is the SMILES notation for methyl 3-(5-bromo-2-methylphenoxy)propanoate?
The canonical SMILES for methyl 3-(5-bromo-2-methylphenoxy)propanoate is COC(=O)CCOc1cc(Br)ccc1C.
What is the InChIKey of methyl 3-(5-bromo-2-methylphenoxy)propanoate?
The InChIKey is LGAQZWJXZPFJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-8-3-4-9(12)7-10(8)15-6-5-11(13)14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-(5-bromo-2-methylphenoxy)propanoate?
methyl 3-(5-bromo-2-methylphenoxy)propanoate has a molecular weight of 273.13 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromo-2-methylphenoxy)propanoate is sourced from PubChem (CID 107283195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).