(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone

C19H21NO2 — CID 118770730

IUPAC(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-13(2)14-3-5-15(6-4-14)16-7-9-17(10-8-16)19(22)20-11-18(21)12-20/h3-10,13,18,21H,11-12H2,1-2H3
InChIKeyYLNFOICAFICCRG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.29
Rot. Bonds3

About (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone

(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone (PubChem CID 118770730) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
PubChem CID118770730
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
SMILESCC(C)c1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-13(2)14-3-5-15(6-4-14)16-7-9-17(10-8-16)19(22)20-11-18(21)12-20/h3-10,13,18,21H,11-12H2,1-2H3
InChIKeyYLNFOICAFICCRG-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
[3-hydroxy-5-(2-methylpropyl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 166782014
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone (CID 118770730) is (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone is CC(C)c1ccc(-c2ccc(C(=O)N3CC(O)C3)cc2)cc1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
The InChIKey is YLNFOICAFICCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)14-3-5-15(6-4-14)16-7-9-17(10-8-16)19(22)20-11-18(21)12-20/h3-10,13,18,21H,11-12H2,1-2H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone?
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone has a molecular weight of 295.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone is sourced from PubChem (CID 118770730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).