(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

C11H12BrNO3 — CID 81344910

IUPAC(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H12BrNO3/c1-16-10-4-7(12)2-3-9(10)11(15)13-5-8(14)6-13/h2-4,8,14H,5-6H2,1H3
InChIKeyBZSJVAFWULYEJI-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.27
Rot. Bonds2

About (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 81344910) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID81344910
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCOc1cc(Br)ccc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H12BrNO3/c1-16-10-4-7(12)2-3-9(10)11(15)13-5-8(14)6-13/h2-4,8,14H,5-6H2,1H3
InChIKeyBZSJVAFWULYEJI-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxybenzoyl)azetidine-3-carboxylic acid
CID 115368654
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-bromo-2-methoxyphenyl)methanone;hydrochloride
CID 120747843
(4-bromo-2-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637081
(2-amino-5-bromophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107223766
(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
(4-bromo-2-methoxyphenyl)-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 167131809
2-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 115368600

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 81344910) is (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is COc1cc(Br)ccc1C(=O)N1CC(O)C1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is BZSJVAFWULYEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-16-10-4-7(12)2-3-9(10)11(15)13-5-8(14)6-13/h2-4,8,14H,5-6H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 286.12 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 81344910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).