2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone

C12H13BrO3 — CID 58579838

IUPAC2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
SMILESCOc1cc(Br)ccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13BrO3/c1-15-12-6-9(13)4-5-11(12)16-7-10(14)8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyMFTAXDSNAJWYFP-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone

2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone (PubChem CID 58579838) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
PubChem CID58579838
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
SMILESCOc1cc(Br)ccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13BrO3/c1-15-12-6-9(13)4-5-11(12)16-7-10(14)8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyMFTAXDSNAJWYFP-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
4-(2-cyclopropyl-2-oxoethoxy)-3-methoxybenzonitrile
CID 63903452
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethanone
CID 63914428
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
5-bromo-2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 115776936
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone (CID 58579838) is 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone is COc1cc(Br)ccc1OCC(=O)C1CC1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone?
The InChIKey is MFTAXDSNAJWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-15-12-6-9(13)4-5-11(12)16-7-10(14)8-2-3-8/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone?
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone has a molecular weight of 285.14 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone is sourced from PubChem (CID 58579838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).