2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol

C17H25F3O2 — CID 154186424

IUPAC2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol
SMILESCC(CCCC(C)(C)O)CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2/c1-13(5-4-11-16(2,3)21)10-12-22-15-8-6-14(7-9-15)17(18,19)20/h6-9,13,21H,4-5,10-12H2,1-3H3
InChIKeyZGUYMZDPOOTLEG-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.05
Rot. Bonds8

About 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol

2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol (PubChem CID 154186424) has the molecular formula C17H25F3O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol
PubChem CID154186424
Molecular FormulaC17H25F3O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol
SMILESCC(CCCC(C)(C)O)CCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H25F3O2/c1-13(5-4-11-16(2,3)21)10-12-22-15-8-6-14(7-9-15)17(18,19)20/h6-9,13,21H,4-5,10-12H2,1-3H3
InChIKeyZGUYMZDPOOTLEG-UHFFFAOYSA-N
XLogP5.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
2,2-dimethyl-5-[4-(trifluoromethyl)phenoxy]pentanoic acid
CID 65254753
1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
CID 22749891
4-[5-(4-hydroxyphenoxy)-3-methylpentoxy]phenol
CID 20548958
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54001811

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol?
The IUPAC name of 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol (CID 154186424) is 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol.
What is the SMILES notation for 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol?
The canonical SMILES for 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol is CC(CCCC(C)(C)O)CCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol?
The InChIKey is ZGUYMZDPOOTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O2/c1-13(5-4-11-16(2,3)21)10-12-22-15-8-6-14(7-9-15)17(18,19)20/h6-9,13,21H,4-5,10-12H2,1-3H3.
What are the key properties of 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol?
2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol has a molecular weight of 318.38 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-[4-(trifluoromethyl)phenoxy]octan-2-ol is sourced from PubChem (CID 154186424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).