4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one

C22H23NO3 — CID 67374497

IUPAC4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(C)c(C3=C(O)C4(CCCOC4)NC3=O)c2)cc1
InChIInChI=1S/C22H23NO3/c1-14-4-7-16(8-5-14)17-9-6-15(2)18(12-17)19-20(24)22(23-21(19)25)10-3-11-26-13-22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,25)
InChIKeyFXVYYXTXWNKGDF-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.92
Rot. Bonds2

About 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 67374497) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID67374497
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(C)c(C3=C(O)C4(CCCOC4)NC3=O)c2)cc1
InChIInChI=1S/C22H23NO3/c1-14-4-7-16(8-5-14)17-9-6-15(2)18(12-17)19-20(24)22(23-21(19)25)10-3-11-26-13-22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,25)
InChIKeyFXVYYXTXWNKGDF-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one (CID 67374497) is 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(-c2ccc(C)c(C3=C(O)C4(CCCOC4)NC3=O)c2)cc1.
What is the InChIKey of 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is FXVYYXTXWNKGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-14-4-7-16(8-5-14)17-9-6-15(2)18(12-17)19-20(24)22(23-21(19)25)10-3-11-26-13-22/h4-9,12,24H,3,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-methyl-5-(4-methylphenyl)phenyl]-9-oxa-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67374497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).