1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone

C11H13BrO2 — CID 84709029

IUPAC1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C)c(Br)c1C(C)=O
InChIInChI=1S/C11H13BrO2/c1-6-5-7(2)11(14-4)9(8(3)13)10(6)12/h5H,1-4H3
InChIKeyZJRTYPNHYHKIIS-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.28
Rot. Bonds2

About 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone (PubChem CID 84709029) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
PubChem CID84709029
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C)c(Br)c1C(C)=O
InChIInChI=1S/C11H13BrO2/c1-6-5-7(2)11(14-4)9(8(3)13)10(6)12/h5H,1-4H3
InChIKeyZJRTYPNHYHKIIS-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
CID 159041821
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
CID 87923708
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone (CID 84709029) is 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone is COc1c(C)cc(C)c(Br)c1C(C)=O.
What is the InChIKey of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone?
The InChIKey is ZJRTYPNHYHKIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-6-5-7(2)11(14-4)9(8(3)13)10(6)12/h5H,1-4H3.
What are the key properties of 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone?
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone has a molecular weight of 257.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 84709029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).