3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol

C22H26FNO2 — CID 134550485

IUPAC3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1CNC2(CCOCC2)C1O
InChIInChI=1S/C22H26FNO2/c1-14-3-8-18(16-4-6-17(23)7-5-16)15(2)20(14)19-13-24-22(21(19)25)9-11-26-12-10-22/h3-8,19,21,24-25H,9-13H2,1-2H3
InChIKeyOYEIIYAHXPNKDV-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.71
Rot. Bonds2

About 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol

3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol (PubChem CID 134550485) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol
PubChem CID134550485
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol
SMILESCc1ccc(-c2ccc(F)cc2)c(C)c1C1CNC2(CCOCC2)C1O
InChIInChI=1S/C22H26FNO2/c1-14-3-8-18(16-4-6-17(23)7-5-16)15(2)20(14)19-13-24-22(21(19)25)9-11-26-12-10-22/h3-8,19,21,24-25H,9-13H2,1-2H3
InChIKeyOYEIIYAHXPNKDV-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol 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]-8-oxa-1-azaspiro[4.5]decan-4-ol?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol (CID 134550485) is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol is Cc1ccc(-c2ccc(F)cc2)c(C)c1C1CNC2(CCOCC2)C1O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol?
The InChIKey is OYEIIYAHXPNKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-14-3-8-18(16-4-6-17(23)7-5-16)15(2)20(14)19-13-24-22(21(19)25)9-11-26-12-10-22/h3-8,19,21,24-25H,9-13H2,1-2H3.
What are the key properties of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol?
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol has a molecular weight of 355.45 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 134550485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).