methyl 2-(5-bromo-2-methoxyphenoxy)acetate

C10H11BrO4 — CID 178201298

IUPACmethyl 2-(5-bromo-2-methoxyphenoxy)acetate
SMILESCOC(=O)COc1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrO4/c1-13-8-4-3-7(11)5-9(8)15-6-10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyHRYVIUCFZFPMFO-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-(5-bromo-2-methoxyphenoxy)acetate

methyl 2-(5-bromo-2-methoxyphenoxy)acetate (PubChem CID 178201298) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-methoxyphenoxy)acetate
PubChem CID178201298
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl 2-(5-bromo-2-methoxyphenoxy)acetate
SMILESCOC(=O)COc1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrO4/c1-13-8-4-3-7(11)5-9(8)15-6-10(12)14-2/h3-5H,6H2,1-2H3
InChIKeyHRYVIUCFZFPMFO-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-bromo-2-cyanophenoxy)acetate
CID 163353823
methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
CID 63365900
methyl 2-(4-bromo-2-ethynylphenoxy)acetate
CID 142605224
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
(5-bromo-2-methoxyphenyl) propanoate
CID 174969176
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
(5-bromo-2-methoxyphenyl)-bis(3-methoxy-3-oxopropyl)sulfanium
CID 11092773
methyl 2-(4-acetyl-2-bromophenoxy)acetate
CID 66868355
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
benzyl 4-methoxy-3-(2-methoxy-2-oxoethoxy)benzoate
CID 52644904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-methoxyphenoxy)acetate?
The IUPAC name of methyl 2-(5-bromo-2-methoxyphenoxy)acetate (CID 178201298) is methyl 2-(5-bromo-2-methoxyphenoxy)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-methoxyphenoxy)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-methoxyphenoxy)acetate is COC(=O)COc1cc(Br)ccc1OC.
What is the InChIKey of methyl 2-(5-bromo-2-methoxyphenoxy)acetate?
The InChIKey is HRYVIUCFZFPMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-13-8-4-3-7(11)5-9(8)15-6-10(12)14-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(5-bromo-2-methoxyphenoxy)acetate?
methyl 2-(5-bromo-2-methoxyphenoxy)acetate has a molecular weight of 275.10 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-methoxyphenoxy)acetate is sourced from PubChem (CID 178201298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).