4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one

C24H25NO2 — CID 123727995

IUPAC4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one
SMILESO=C1C(CCC(O)c2ccccc2)C(C2=CC=CCC2)N1c1ccccc1
InChIInChI=1S/C24H25NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-6,8-12,14-15,21-23,26H,7,13,16-17H2
InChIKeyOWOOYYPUTIJKOI-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.81
Rot. Bonds6

About 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one

4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one (PubChem CID 123727995) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one
PubChem CID123727995
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one
SMILESO=C1C(CCC(O)c2ccccc2)C(C2=CC=CCC2)N1c1ccccc1
InChIInChI=1S/C24H25NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-6,8-12,14-15,21-23,26H,7,13,16-17H2
InChIKeyOWOOYYPUTIJKOI-UHFFFAOYSA-N
XLogP4.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one (CID 123727995) is 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one is O=C1C(CCC(O)c2ccccc2)C(C2=CC=CCC2)N1c1ccccc1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one?
The InChIKey is OWOOYYPUTIJKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-22(18-10-4-1-5-11-18)17-16-21-23(19-12-6-2-7-13-19)25(24(21)27)20-14-8-3-9-15-20/h1-6,8-12,14-15,21-23,26H,7,13,16-17H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one?
4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-3-(3-hydroxy-3-phenylpropyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 123727995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).