1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone

C12H13BrO2 — CID 43141135

IUPAC1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1ccc(Br)cc1C1CC1C(C)=O
InChIInChI=1S/C12H13BrO2/c1-7(14)9-6-10(9)11-5-8(13)3-4-12(11)15-2/h3-5,9-10H,6H2,1-2H3
InChIKeyVKNXHVIIPFILMO-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.15
Rot. Bonds3

About 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone

1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone (PubChem CID 43141135) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
PubChem CID43141135
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
SMILESCOc1ccc(Br)cc1C1CC1C(C)=O
InChIInChI=1S/C12H13BrO2/c1-7(14)9-6-10(9)11-5-8(13)3-4-12(11)15-2/h3-5,9-10H,6H2,1-2H3
InChIKeyVKNXHVIIPFILMO-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464
1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
CID 43150256
1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
CID 43364567
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
N-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55906811
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
(8S)-8-(5-bromo-2-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 52903131
3-(5-bromo-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829366
methyl (4R)-3-acetyl-4-(5-bromo-2-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
CID 7733372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone (CID 43141135) is 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone is COc1ccc(Br)cc1C1CC1C(C)=O.
What is the InChIKey of 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone?
The InChIKey is VKNXHVIIPFILMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-7(14)9-6-10(9)11-5-8(13)3-4-12(11)15-2/h3-5,9-10H,6H2,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone?
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone has a molecular weight of 269.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 43141135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).