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

C13H17F3O3 — CID 103027521

IUPAC3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3O3/c1-12(2,18-3)8-11(17)9-5-4-6-10(7-9)19-13(14,15)16/h4-7,11,17H,8H2,1-3H3
InChIKeyGUIXBQWCFXIONC-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.43
Rot. Bonds5

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

3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol (PubChem CID 103027521) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
PubChem CID103027521
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H17F3O3/c1-12(2,18-3)8-11(17)9-5-4-6-10(7-9)19-13(14,15)16/h4-7,11,17H,8H2,1-3H3
InChIKeyGUIXBQWCFXIONC-UHFFFAOYSA-N
XLogP3.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 79197999
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
3-chloro-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171862621
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol (CID 103027521) is 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol is COC(C)(C)CC(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol?
The InChIKey is GUIXBQWCFXIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-12(2,18-3)8-11(17)9-5-4-6-10(7-9)19-13(14,15)16/h4-7,11,17H,8H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol?
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol has a molecular weight of 278.27 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 103027521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).