1-(5-bromo-2-methoxyphenyl)ethanone

C9H9BrO2 — CID 2757029

IUPAC1-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
InChIKeyGLKBPFOSTPLEKE-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.66
Rot. Bonds2

About 1-(5-bromo-2-methoxyphenyl)ethanone

1-(5-bromo-2-methoxyphenyl)ethanone (PubChem CID 2757029) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)ethanone
PubChem CID2757029
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Br)cc1C(C)=O
InChIInChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
InChIKeyGLKBPFOSTPLEKE-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-methoxyphenyl)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-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
CID 82971742
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
methyl (2S)-2-(2-acetyl-4-bromophenoxy)propanoate
CID 94158655
1-(5-bromo-2-methoxyphenyl)-3-chloropropan-1-one
CID 82050030
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-one
CID 43161797

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)ethanone (CID 2757029) is 1-(5-bromo-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)ethanone is COc1ccc(Br)cc1C(C)=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)ethanone?
The InChIKey is GLKBPFOSTPLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)ethanone?
1-(5-bromo-2-methoxyphenyl)ethanone has a molecular weight of 229.07 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)ethanone is sourced from PubChem (CID 2757029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).