3-propan-2-yl-5-(trifluoromethoxy)phenol

C10H11F3O2 — CID 170367296

IUPAC3-propan-2-yl-5-(trifluoromethoxy)phenol
SMILESCC(C)c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-6(2)7-3-8(14)5-9(4-7)15-10(11,12)13/h3-6,14H,1-2H3
InChIKeyGWTCMUDJVLWINI-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.41
Rot. Bonds2

About 3-propan-2-yl-5-(trifluoromethoxy)phenol

3-propan-2-yl-5-(trifluoromethoxy)phenol (PubChem CID 170367296) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-propan-2-yl-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-propan-2-yl-5-(trifluoromethoxy)phenol
PubChem CID170367296
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-propan-2-yl-5-(trifluoromethoxy)phenol
SMILESCC(C)c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-6(2)7-3-8(14)5-9(4-7)15-10(11,12)13/h3-6,14H,1-2H3
InChIKeyGWTCMUDJVLWINI-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-3-propan-2-yl-5-(trifluoromethoxy)benzene
CID 118269613
CID 167396186
CID 167396186
3-[3-propan-2-yl-5-(trifluoromethoxy)phenyl]sulfanylpropan-1-amine
CID 134447124
tert-butyl 3-hydroxy-5-(trifluoromethoxy)benzoate
CID 172648442
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
ethane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 143418599
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519
1-[3,5-bis(trifluoromethoxy)phenyl]-N,2,2-trimethylpropan-1-amine
CID 139965827
3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
CID 171365357
ethane;3-(trifluoromethoxy)phenol
CID 143201974
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-propan-2-yl-5-(trifluoromethoxy)phenol (CID 170367296) is 3-propan-2-yl-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-propan-2-yl-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-propan-2-yl-5-(trifluoromethoxy)phenol is CC(C)c1cc(O)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-propan-2-yl-5-(trifluoromethoxy)phenol?
The InChIKey is GWTCMUDJVLWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-6(2)7-3-8(14)5-9(4-7)15-10(11,12)13/h3-6,14H,1-2H3.
What are the key properties of 3-propan-2-yl-5-(trifluoromethoxy)phenol?
3-propan-2-yl-5-(trifluoromethoxy)phenol has a molecular weight of 220.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 170367296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).