3-(2-methylphenyl)-5-(trifluoromethoxy)phenol

C14H11F3O2 — CID 53221910

IUPAC3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
SMILESCc1ccccc1-c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O2/c1-9-4-2-3-5-13(9)10-6-11(18)8-12(7-10)19-14(15,16)17/h2-8,18H,1H3
InChIKeySTMUBBCYRZETPB-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.27
Rot. Bonds2

About 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol

3-(2-methylphenyl)-5-(trifluoromethoxy)phenol (PubChem CID 53221910) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
PubChem CID53221910
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
SMILESCc1ccccc1-c1cc(O)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H11F3O2/c1-9-4-2-3-5-13(9)10-6-11(18)8-12(7-10)19-14(15,16)17/h2-8,18H,1H3
InChIKeySTMUBBCYRZETPB-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol (CID 53221910) is 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol is Cc1ccccc1-c1cc(O)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol?
The InChIKey is STMUBBCYRZETPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-9-4-2-3-5-13(9)10-6-11(18)8-12(7-10)19-14(15,16)17/h2-8,18H,1H3.
What are the key properties of 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol?
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol has a molecular weight of 268.23 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 53221910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).