azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone

C15H21NO2 — CID 116916740

IUPACazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNC2)cc1C(C)C
InChIInChI=1S/C15H21NO2/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(17)11-7-16-8-11/h5-6,9,11,16H,7-8H2,1-4H3
InChIKeyGLHKFPQFNBAZPO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds4

About azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone

azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 116916740) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID116916740
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameazetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNC2)cc1C(C)C
InChIInChI=1S/C15H21NO2/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(17)11-7-16-8-11/h5-6,9,11,16H,7-8H2,1-4H3
InChIKeyGLHKFPQFNBAZPO-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
(1-aminocyclopropyl)-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116924291
3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propane-1,2-dione
CID 116822637
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
2-(cyclopropylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978847

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone (CID 116916740) is azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone is COc1cc(C)c(C(=O)C2CNC2)cc1C(C)C.
What is the InChIKey of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is GLHKFPQFNBAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9(2)12-6-13(10(3)5-14(12)18-4)15(17)11-7-16-8-11/h5-6,9,11,16H,7-8H2,1-4H3.
What are the key properties of azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone?
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116916740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).