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

C11H12BrNO2 — CID 112536344

IUPAC2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Br)N1CC(O)C1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-8(10)5-11(15)13-6-9(14)7-13/h1-4,9,14H,5-7H2
InChIKeyFZPWLFPTSSBEPP-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.19
Rot. Bonds2

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

2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 112536344) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID112536344
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Br)N1CC(O)C1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-8(10)5-11(15)13-6-9(14)7-13/h1-4,9,14H,5-7H2
InChIKeyFZPWLFPTSSBEPP-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperidin-1-yl)-2-(2-bromophenyl)ethanone
CID 112536864
(3S,4S)-1-[2-(2-bromophenyl)acetyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203640
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
2-(4-bromo-2-methylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 110007537
2-(2-bromophenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075030
2-(2-bromophenyl)acetyl bromide
CID 87290551
3-(2-bromophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124590235
(2-bromophenyl)methyl-dihydroxy-(3-hydroxyazetidin-1-yl)azanium
CID 163421471
3-(2-bromophenyl)-1-(3-ethylsulfonylazetidin-1-yl)propan-1-one
CID 121164365
(3S)-1-[2-(2-bromophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 112536344) is 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone is O=C(Cc1ccccc1Br)N1CC(O)C1.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is FZPWLFPTSSBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-4-2-1-3-8(10)5-11(15)13-6-9(14)7-13/h1-4,9,14H,5-7H2.
What are the key properties of 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 270.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 112536344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).