[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol

C10H11F3O — CID 171016775

IUPAC[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C)c(C(F)(F)F)c(CO)c1
InChIInChI=1S/C10H11F3O/c1-6-3-7(2)9(10(11,12)13)8(4-6)5-14/h3-4,14H,5H2,1-2H3
InChIKeyIZOHLAFBUPJTTJ-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.81
Rot. Bonds1

About [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol

[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol (PubChem CID 171016775) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
PubChem CID171016775
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C)c(C(F)(F)F)c(CO)c1
InChIInChI=1S/C10H11F3O/c1-6-3-7(2)9(10(11,12)13)8(4-6)5-14/h3-4,14H,5H2,1-2H3
InChIKeyIZOHLAFBUPJTTJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methylbenzyl alcohol
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2-Naphthalenemethanol
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3,4-Dimethylbenzyl alcohol
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Bay 27-9955
CID 5311277
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CID 67684
2,4-Dimethylbenzyl alcohol
CID 27809

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol (CID 171016775) is [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol is Cc1cc(C)c(C(F)(F)F)c(CO)c1.
What is the InChIKey of [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is IZOHLAFBUPJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-6-3-7(2)9(10(11,12)13)8(4-6)5-14/h3-4,14H,5H2,1-2H3.
What are the key properties of [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol?
[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 204.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171016775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).