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

C13H15BrO2 — CID 65332498

IUPAC2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CCCOC1
InChIInChI=1S/C13H15BrO2/c14-12-6-2-1-4-10(12)8-13(15)11-5-3-7-16-9-11/h1-2,4,6,11H,3,5,7-9H2
InChIKeyOQXKXONJUBHTNZ-UHFFFAOYSA-N
MW283.16 g/mol
LogP2.99
Rot. Bonds3

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

2-(2-bromophenyl)-1-(oxan-3-yl)ethanone (PubChem CID 65332498) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
PubChem CID65332498
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Br)C1CCCOC1
InChIInChI=1S/C13H15BrO2/c14-12-6-2-1-4-10(12)8-13(15)11-5-3-7-16-9-11/h1-2,4,6,11H,3,5,7-9H2
InChIKeyOQXKXONJUBHTNZ-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
1-(oxan-3-yl)-2-phenylmethoxyethanone
CID 131141063
1-(azetidin-3-yl)-2-(2-bromophenyl)ethanone
CID 116583679
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
2-(2-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 64738620
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
oxan-3-yl(phenyl)methanone
CID 63011351
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-(2-bromophenyl)-4-cyclohexylbutan-2-one
CID 114962504

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone (CID 65332498) is 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone is O=C(Cc1ccccc1Br)C1CCCOC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone?
The InChIKey is OQXKXONJUBHTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-12-6-2-1-4-10(12)8-13(15)11-5-3-7-16-9-11/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 2-(2-bromophenyl)-1-(oxan-3-yl)ethanone?
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone has a molecular weight of 283.16 g/mol, XLogP of 2.99, 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-(oxan-3-yl)ethanone is sourced from PubChem (CID 65332498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).