4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one

C18H19NO2 — CID 73112834

IUPAC4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
SMILESCOc1ccccc1C1N(c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C18H19NO2/c1-18(2)16(14-11-7-8-12-15(14)21-3)19(17(18)20)13-9-5-4-6-10-13/h4-12,16H,1-3H3
InChIKeyZBYBQIVOFFDJRK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.81
Rot. Bonds3

About 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one

4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one (PubChem CID 73112834) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
PubChem CID73112834
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
SMILESCOc1ccccc1C1N(c2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C18H19NO2/c1-18(2)16(14-11-7-8-12-15(14)21-3)19(17(18)20)13-9-5-4-6-10-13/h4-12,16H,1-3H3
InChIKeyZBYBQIVOFFDJRK-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one?
The IUPAC name of 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one (CID 73112834) is 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one?
The canonical SMILES for 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one is COc1ccccc1C1N(c2ccccc2)C(=O)C1(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one?
The InChIKey is ZBYBQIVOFFDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(2)16(14-11-7-8-12-15(14)21-3)19(17(18)20)13-9-5-4-6-10-13/h4-12,16H,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one?
4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one is sourced from PubChem (CID 73112834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).