[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol

C11H13F3O — CID 118269805

IUPAC[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)9-5-3-4-8(6-15)10(9)11(12,13)14/h3-5,7,15H,6H2,1-2H3
InChIKeySPEQXHGXIAUUNJ-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.32
Rot. Bonds2

About [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol

[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 118269805) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
PubChem CID118269805
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
SMILESCC(C)c1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)9-5-3-4-8(6-15)10(9)11(12,13)14/h3-5,7,15H,6H2,1-2H3
InChIKeySPEQXHGXIAUUNJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
CID 70249613
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
2-[2-(2,2-difluoropropyl)phenyl]propan-1-ol
CID 117305573
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 43366753
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
1-(2,2-dimethylpropyl)-2-propan-2-ylbenzene;ethane
CID 142343598
[2-(2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255036
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
CID 176934964

Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol (CID 118269805) is [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol is CC(C)c1cccc(CO)c1C(F)(F)F.
What is the InChIKey of [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is SPEQXHGXIAUUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7(2)9-5-3-4-8(6-15)10(9)11(12,13)14/h3-5,7,15H,6H2,1-2H3.
What are the key properties of [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol?
[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 218.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 118269805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).