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

C13H17F3O2 — CID 116712081

IUPAC2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOC(C(C)C)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3O2/c1-8(2)12(18-3)11(17)9-5-4-6-10(7-9)13(14,15)16/h4-8,11-12,17H,1-3H3
InChIKeyDXYCWUFAMDOKCH-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.41
Rot. Bonds4

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

2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 116712081) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID116712081
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESCOC(C(C)C)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3O2/c1-8(2)12(18-3)11(17)9-5-4-6-10(7-9)13(14,15)16/h4-8,11-12,17H,1-3H3
InChIKeyDXYCWUFAMDOKCH-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-methoxy-3-methyl-1-[3-(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

3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
CID 123680621
[methoxy(methyl)amino]-[3-(trifluoromethyl)phenyl]methanol
CID 162547672
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
CID 10589008
3-bromo-1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860229
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol (CID 116712081) is 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol is COC(C(C)C)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is DXYCWUFAMDOKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-8(2)12(18-3)11(17)9-5-4-6-10(7-9)13(14,15)16/h4-8,11-12,17H,1-3H3.
What are the key properties of 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol?
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 116712081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).