azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone

C13H17NO2 — CID 116583756

IUPACazetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNC2)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-12(16-3)9(2)4-11(8)13(15)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3
InChIKeySMDOHNRHSGCWDC-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.71
Rot. Bonds3

About azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone

azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 116583756) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID116583756
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameazetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)C2CNC2)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-12(16-3)9(2)4-11(8)13(15)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3
InChIKeySMDOHNRHSGCWDC-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 116916740
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
(3-aminocyclohexyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116568899
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-3-ylmethanone
CID 116916868
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
azetidin-3-yl-(2,5-dichloro-4-methoxyphenyl)methanone
CID 116916762
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116573146
2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116594634
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone (CID 116583756) is azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)C2CNC2)cc1C.
What is the InChIKey of azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is SMDOHNRHSGCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-12(16-3)9(2)4-11(8)13(15)10-6-14-7-10/h4-5,10,14H,6-7H2,1-3H3.
What are the key properties of azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone?
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 219.28 g/mol, XLogP of 1.71, 3 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-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 116583756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).