1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone

C13H15BrO2 — CID 106203157

IUPAC1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
SMILESO=C(COCCC1CC1)c1ccccc1Br
InChIInChI=1S/C13H15BrO2/c14-12-4-2-1-3-11(12)13(15)9-16-8-7-10-5-6-10/h1-4,10H,5-9H2
InChIKeyZICORGVZZXEENI-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone

1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone (PubChem CID 106203157) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
PubChem CID106203157
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
SMILESO=C(COCCC1CC1)c1ccccc1Br
InChIInChI=1S/C13H15BrO2/c14-12-4-2-1-3-11(12)13(15)9-16-8-7-10-5-6-10/h1-4,10H,5-9H2
InChIKeyZICORGVZZXEENI-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-2-octoxyethanone
CID 43800732
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
2-(2-cyclopropylethoxy)-1-(2,4-dimethylphenyl)ethanone
CID 106203148
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
[4-(2-aminooxyethyl)piperidin-1-yl]-(2-bromophenyl)methanone
CID 84607755
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
[2-(2-bromophenyl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2355978
1-(2-bromophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800571
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone (CID 106203157) is 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone is O=C(COCCC1CC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone?
The InChIKey is ZICORGVZZXEENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-12-4-2-1-3-11(12)13(15)9-16-8-7-10-5-6-10/h1-4,10H,5-9H2.
What are the key properties of 1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone?
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.45, 6 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-cyclopropylethoxy)ethanone is sourced from PubChem (CID 106203157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).