1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one

C11H13BrO2 — CID 135007088

IUPAC1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrO2/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10,13H,1-2H3
InChIKeyGSNUYINUZGDUSR-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.65
Rot. Bonds3

About 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one

1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one (PubChem CID 135007088) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
PubChem CID135007088
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrO2/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10,13H,1-2H3
InChIKeyGSNUYINUZGDUSR-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
4-amino-1-(2-bromophenyl)-3-methylbutan-1-one
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(1R)-1-(2-bromophenyl)ethanol;1-(2-bromophenyl)ethanone;methane
CID 161226581
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
[2-(2-bromophenyl)-2-oxo-1-phenylethyl] acetate
CID 67347861
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
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3-(2-bromophenyl)-3-oxo-2-phenylpropanal
CID 52912679

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one (CID 135007088) is 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one is CC(C)C(O)C(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one?
The InChIKey is GSNUYINUZGDUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7(2)10(13)11(14)8-5-3-4-6-9(8)12/h3-7,10,13H,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one?
1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one has a molecular weight of 257.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 135007088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).