3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol

C14H19F3O2 — CID 107105020

IUPAC3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
SMILESCCCC(C)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3O2/c1-3-5-10(2)8-13(18)11-6-4-7-12(9-11)19-14(15,16)17/h4,6-7,9-10,13,18H,3,5,8H2,1-2H3
InChIKeyVTKXVWBEHVNJMU-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.44
Rot. Bonds6

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

3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol (PubChem CID 107105020) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
PubChem CID107105020
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
SMILESCCCC(C)CC(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H19F3O2/c1-3-5-10(2)8-13(18)11-6-4-7-12(9-11)19-14(15,16)17/h4,6-7,9-10,13,18H,3,5,8H2,1-2H3
InChIKeyVTKXVWBEHVNJMU-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 107105212
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
[2-propyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105305170
(1R,2S)-1-amino-5-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-2-ol
CID 171264181

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol?
The IUPAC name of 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol (CID 107105020) is 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol is CCCC(C)CC(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol?
The InChIKey is VTKXVWBEHVNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-3-5-10(2)8-13(18)11-6-4-7-12(9-11)19-14(15,16)17/h4,6-7,9-10,13,18H,3,5,8H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol?
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol is sourced from PubChem (CID 107105020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).