4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

C13H17F3O2 — CID 105096267

IUPAC4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOCC(C)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-9(8-18-2)7-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeyOWYGVWVUBKZLBJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.41
Rot. Bonds5

About 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol

4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 105096267) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID105096267
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOCC(C)CC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-9(8-18-2)7-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,12,17H,7-8H2,1-2H3
InChIKeyOWYGVWVUBKZLBJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-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

3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
2-aminooxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 105476954
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105122379
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801984

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol (CID 105096267) is 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is COCC(C)CC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is OWYGVWVUBKZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-9(8-18-2)7-12(17)10-5-3-4-6-11(10)13(14,15)16/h3-6,9,12,17H,7-8H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol?
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 105096267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).