[2-methyl-4-(trifluoromethoxy)phenyl]methanol

C9H9F3O2 — CID 2775557

IUPAC[2-methyl-4-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(OC(F)(F)F)ccc1CO
InChIInChI=1S/C9H9F3O2/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-4,13H,5H2,1H3
InChIKeyLCVOXYUOUBCLRJ-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.39
Rot. Bonds2

About [2-methyl-4-(trifluoromethoxy)phenyl]methanol

[2-methyl-4-(trifluoromethoxy)phenyl]methanol (PubChem CID 2775557) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethoxy)phenyl]methanol
PubChem CID2775557
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name[2-methyl-4-(trifluoromethoxy)phenyl]methanol
SMILESCc1cc(OC(F)(F)F)ccc1CO
InChIInChI=1S/C9H9F3O2/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-4,13H,5H2,1H3
InChIKeyLCVOXYUOUBCLRJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [2-methyl-4-(trifluoromethoxy)phenyl]methanol (CID 2775557) is [2-methyl-4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [2-methyl-4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [2-methyl-4-(trifluoromethoxy)phenyl]methanol is Cc1cc(OC(F)(F)F)ccc1CO.
What is the InChIKey of [2-methyl-4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is LCVOXYUOUBCLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-4,13H,5H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethoxy)phenyl]methanol?
[2-methyl-4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 206.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 2775557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).