4-(2-methoxy-5-methylphenyl)azetidin-2-one

C11H13NO2 — CID 66350975

IUPAC4-(2-methoxy-5-methylphenyl)azetidin-2-one
SMILESCOc1ccc(C)cc1C1CC(=O)N1
InChIInChI=1S/C11H13NO2/c1-7-3-4-10(14-2)8(5-7)9-6-11(13)12-9/h3-5,9H,6H2,1-2H3,(H,12,13)
InChIKeyIDBQZMUSAOXEHP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.56
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)azetidin-2-one

4-(2-methoxy-5-methylphenyl)azetidin-2-one (PubChem CID 66350975) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)azetidin-2-one
PubChem CID66350975
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(2-methoxy-5-methylphenyl)azetidin-2-one
SMILESCOc1ccc(C)cc1C1CC(=O)N1
InChIInChI=1S/C11H13NO2/c1-7-3-4-10(14-2)8(5-7)9-6-11(13)12-9/h3-5,9H,6H2,1-2H3,(H,12,13)
InChIKeyIDBQZMUSAOXEHP-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)azetidin-2-one?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)azetidin-2-one (CID 66350975) is 4-(2-methoxy-5-methylphenyl)azetidin-2-one.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)azetidin-2-one?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)azetidin-2-one is COc1ccc(C)cc1C1CC(=O)N1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)azetidin-2-one?
The InChIKey is IDBQZMUSAOXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-4-10(14-2)8(5-7)9-6-11(13)12-9/h3-5,9H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxy-5-methylphenyl)azetidin-2-one?
4-(2-methoxy-5-methylphenyl)azetidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)azetidin-2-one is sourced from PubChem (CID 66350975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).