(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone

C13H17NO3 — CID 123539708

IUPAC(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCCOC1CN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C13H17NO3/c1-3-17-10-8-14(9-10)13(15)11-6-4-5-7-12(11)16-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYSUFKQBIVFVJDW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.56
Rot. Bonds4

About (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone

(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 123539708) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID123539708
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCCOC1CN(C(=O)c2ccccc2OC)C1
InChIInChI=1S/C13H17NO3/c1-3-17-10-8-14(9-10)13(15)11-6-4-5-7-12(11)16-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyYSUFKQBIVFVJDW-UHFFFAOYSA-N
XLogP1.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101597
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-propoxyphenyl)methanone
CID 70729315
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 110132924
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone (CID 123539708) is (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone is CCOC1CN(C(=O)c2ccccc2OC)C1.
What is the InChIKey of (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is YSUFKQBIVFVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-10-8-14(9-10)13(15)11-6-4-5-7-12(11)16-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone?
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 123539708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).