1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone

C13H17BrO2 — CID 43800571

IUPAC1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrO2/c1-4-13(2,3)16-9-12(15)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3
InChIKeyFHJICIILDJBMAF-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone

1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone (PubChem CID 43800571) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
PubChem CID43800571
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrO2/c1-4-13(2,3)16-9-12(15)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3
InChIKeyFHJICIILDJBMAF-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
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CID 43412397
1-(2-bromophenyl)-4,4-dimethylpentane-1,3-dione
CID 28896266
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
CID 43800573
[2-(2-bromophenyl)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2359880
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
tert-butyl 4-(2-bromophenyl)-2,4-dioxobutanoate
CID 46190446
[2-(2-bromophenyl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2355978

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone (CID 43800571) is 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone is CCC(C)(C)OCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
The InChIKey is FHJICIILDJBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-4-13(2,3)16-9-12(15)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone?
1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone has a molecular weight of 285.18 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone is sourced from PubChem (CID 43800571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).