(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone

C14H19NO2 — CID 145367102

IUPAC(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)ccc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)13-5-4-11(6-10(13)3)14(17)15-7-12(16)8-15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyZIQGGBVGRGDZIV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone

(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone (PubChem CID 145367102) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
PubChem CID145367102
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)ccc1C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)13-5-4-11(6-10(13)3)14(17)15-7-12(16)8-15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyZIQGGBVGRGDZIV-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
(3,4-dimethylphenyl)-[3-[(1R)-1-hydroxyethyl]azetidin-1-yl]methanone
CID 154866258
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 118768901
1-[(6R)-6-hydroxy-4-(3-hydroxy-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 97127858
(1-methylpiperidin-4-yl) 3-methyl-4-propan-2-ylbenzoate
CID 130399843
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-dihydroisoindol-2-yl-(4-methyl-3-propan-2-ylphenyl)methanone
CID 71108646

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone (CID 145367102) is (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone is Cc1cc(C(=O)N2CC(O)C2)ccc1C(C)C.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone?
The InChIKey is ZIQGGBVGRGDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13-5-4-11(6-10(13)3)14(17)15-7-12(16)8-15/h4-6,9,12,16H,7-8H2,1-3H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone?
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 145367102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).