2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone

C12H12BrClO2 — CID 63903259

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)C1CC1
InChIInChI=1S/C12H12BrClO2/c1-7-4-9(13)5-10(14)12(7)16-6-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyDCVHNAQQVDAMBI-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone

2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone (PubChem CID 63903259) has the molecular formula C12H12BrClO2 and a molecular weight of 303.58 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
PubChem CID63903259
Molecular FormulaC12H12BrClO2
Molecular Weight303.58 g/mol
Exact Mass301.97
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
SMILESCc1cc(Br)cc(Cl)c1OCC(=O)C1CC1
InChIInChI=1S/C12H12BrClO2/c1-7-4-9(13)5-10(14)12(7)16-6-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyDCVHNAQQVDAMBI-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9338818
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 7233522
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(3,4-dimethoxyphenyl)ethanone
CID 7233520
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 98683871
S-[(2R,3R)-4-oxo-3-(2-oxopropyl)azetidin-2-yl] 2-(4-bromo-2-chloro-6-methylphenoxy)ethanethioate
CID 10342114
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
4-(4-bromo-2-chloro-6-methylphenoxy)-2-methylbut-2-enoic acid
CID 77075772

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone (CID 63903259) is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone is Cc1cc(Br)cc(Cl)c1OCC(=O)C1CC1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone?
The InChIKey is DCVHNAQQVDAMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClO2/c1-7-4-9(13)5-10(14)12(7)16-6-11(15)8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone?
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone has a molecular weight of 303.58 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 63903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).