1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone

C11H13NO2 — CID 130547309

IUPAC1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC2)cc1O
InChIInChI=1S/C11H13NO2/c1-8(13)10-4-3-9(7-11(10)14)12-5-2-6-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGJXUJCMQUVQCJO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.80
Rot. Bonds2

About 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone

1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone (PubChem CID 130547309) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
PubChem CID130547309
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC2)cc1O
InChIInChI=1S/C11H13NO2/c1-8(13)10-4-3-9(7-11(10)14)12-5-2-6-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGJXUJCMQUVQCJO-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]ethanone
CID 79590190
1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
CID 79601015
1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601191
1-[4-(2,4-dimethyl-1,4-diazepan-1-yl)-2-hydroxyphenyl]ethanone
CID 114086882
1-[2-amino-4-(4-methylpiperazin-1-yl)phenyl]ethanone;1-(4-fluoro-2-hydroxyphenyl)ethanone;1-[2-hydroxy-4-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 157099356
1-[2-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 79600312
1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601097
1-[2-hydroxy-4-(2-propylpiperidin-1-yl)phenyl]ethanone
CID 83056595
1-[2-hydroxy-4-(3-methylthiomorpholin-4-yl)phenyl]ethanone
CID 79601018
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79922071
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone (CID 130547309) is 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N2CCC2)cc1O.
What is the InChIKey of 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone?
The InChIKey is GJXUJCMQUVQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(13)10-4-3-9(7-11(10)14)12-5-2-6-12/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone?
1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-1-yl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 130547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).