4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C17H21NO5 — CID 66797689

IUPAC4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C17H21NO5/c1-11-4-5-13(21-2)12(10-11)14-15(19)17(23-16(14)20)6-8-18(22-3)9-7-17/h4-5,10,19H,6-9H2,1-3H3
InChIKeyBAAHRAXRNOFELS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.23
Rot. Bonds3

About 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 66797689) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID66797689
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O
InChIInChI=1S/C17H21NO5/c1-11-4-5-13(21-2)12(10-11)14-15(19)17(23-16(14)20)6-8-18(22-3)9-7-17/h4-5,10,19H,6-9H2,1-3H3
InChIKeyBAAHRAXRNOFELS-UHFFFAOYSA-N
XLogP2.23
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 66797689) is 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is COc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O.
What is the InChIKey of 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is BAAHRAXRNOFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-11-4-5-13(21-2)12(10-11)14-15(19)17(23-16(14)20)6-8-18(22-3)9-7-17/h4-5,10,19H,6-9H2,1-3H3.
What are the key properties of 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 319.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methoxy-3-(2-methoxy-5-methylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 66797689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).