3-methyl-5-(trifluoromethyl)phenol

C8H7F3O — CID 20773422

IUPAC3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4,12H,1H3
InChIKeyVOOZRDXCKRUKTQ-UHFFFAOYSA-N
MW176.14 g/mol
LogP2.72
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)phenol

3-methyl-5-(trifluoromethyl)phenol (PubChem CID 20773422) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)phenol
PubChem CID20773422
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3O/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4,12H,1H3
InChIKeyVOOZRDXCKRUKTQ-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methyl-5-(trifluoromethyl)phenol (CID 20773422) is 3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)phenol is Cc1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is VOOZRDXCKRUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4,12H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)phenol?
3-methyl-5-(trifluoromethyl)phenol has a molecular weight of 176.14 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 20773422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).