2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone

C12H13BrO2 — CID 63564355

IUPAC2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H13BrO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2
InChIKeyFUCFCCUIFNDESE-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone

2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone (PubChem CID 63564355) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
PubChem CID63564355
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H13BrO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2
InChIKeyFUCFCCUIFNDESE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
CID 116583679
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64738620
2-[(2-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756209
2-bromo-5-methylaniline;2-(2-bromo-5-methylphenyl)-1-(oxolan-3-yl)ethanone;oxolane-3-carboxylic acid
CID 162166285
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
3-(2-bromophenyl)-2-(oxan-4-yl)propanoic acid
CID 79418749

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone (CID 63564355) is 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone is O=C(Cc1ccccc1Br)C1CCOC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is FUCFCCUIFNDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2.
What are the key properties of 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone?
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone has a molecular weight of 269.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 63564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).