1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one

C11H13BrO4 — CID 107508214

IUPAC1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1c(Br)cccc1OC
InChIInChI=1S/C11H13BrO4/c1-14-6-8(13)7-16-11-9(12)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3
InChIKeyYTJOTJUZEJRINH-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.05
Rot. Bonds6

About 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one

1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one (PubChem CID 107508214) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
PubChem CID107508214
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1c(Br)cccc1OC
InChIInChI=1S/C11H13BrO4/c1-14-6-8(13)7-16-11-9(12)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3
InChIKeyYTJOTJUZEJRINH-UHFFFAOYSA-N
XLogP2.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene
CID 103066188
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
methyl 2-(3-bromo-2-methoxyphenoxy)acetate
CID 54183204
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
1-(4-bromophenyl)-2-(2,6-dimethoxyphenoxy)ethanone
CID 43799628
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
1-(2,3-dichlorophenoxy)-3-methoxypropan-2-one
CID 107508075
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one (CID 107508214) is 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one is COCC(=O)COc1c(Br)cccc1OC.
What is the InChIKey of 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one?
The InChIKey is YTJOTJUZEJRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-14-6-8(13)7-16-11-9(12)4-3-5-10(11)15-2/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one?
1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one has a molecular weight of 289.12 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107508214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).