3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

C24H26FNO3 — CID 58283723

IUPAC3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1=C(O)C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29)
InChIKeyUVFHIKBXPQWZMA-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.43
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 58283723) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID58283723
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1=C(O)C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29)
InChIKeyUVFHIKBXPQWZMA-UHFFFAOYSA-N
XLogP4.43
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 58283723) is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(-c2ccc(F)cc2)c(C)c1C1=C(O)C2(CCC(CO)CC2)NC1=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is UVFHIKBXPQWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-14-3-8-19(17-4-6-18(25)7-5-17)15(2)20(14)21-22(28)24(26-23(21)29)11-9-16(13-27)10-12-24/h3-8,16,27-28H,9-13H2,1-2H3,(H,26,29).
What are the key properties of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 395.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58283723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).