(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C12H14BrNO2 — CID 106812606

IUPAC(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C)(O)C2)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-4-3-5-9(10(8)13)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3
InChIKeyFTKLVZWTQCYTFL-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.96
Rot. Bonds1

About (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 106812606) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID106812606
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C)(O)C2)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-4-3-5-9(10(8)13)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3
InChIKeyFTKLVZWTQCYTFL-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
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CID 103853932
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
4-(2-bromo-3-methylbenzoyl)piperazine-2,6-dione
CID 107982552
1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
(2-bromo-3-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107982520
1-(2-bromo-3-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107982295
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
(2-bromo-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81112363
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
(3-amino-2-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210554

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 106812606) is (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is Cc1cccc(C(=O)N2CC(C)(O)C2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is FTKLVZWTQCYTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-4-3-5-9(10(8)13)11(15)14-6-12(2,16)7-14/h3-5,16H,6-7H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 284.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 106812606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).