4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C18H23NO4 — CID 59584737

IUPAC4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O
InChIInChI=1S/C18H23NO4/c1-11-9-12(2)14(13(3)10-11)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,20H,5-8H2,1-4H3
InChIKeyVICQWTVQBZRDHV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.83
Rot. Bonds2

About 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59584737) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID59584737
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O
InChIInChI=1S/C18H23NO4/c1-11-9-12(2)14(13(3)10-11)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,20H,5-8H2,1-4H3
InChIKeyVICQWTVQBZRDHV-UHFFFAOYSA-N
XLogP2.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 59584737) is 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O.
What is the InChIKey of 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is VICQWTVQBZRDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-9-12(2)14(13(3)10-11)15-16(20)18(23-17(15)21)5-7-19(22-4)8-6-18/h9-10,20H,5-8H2,1-4H3.
What are the key properties of 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 317.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59584737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).