2-methyl-4-[2-(trifluoromethyl)phenyl]phenol

C14H11F3O — CID 53219065

IUPAC2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
SMILESCc1cc(-c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C14H11F3O/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8,18H,1H3
InChIKeySTZZPXAXZVPHLL-UHFFFAOYSA-N
MW252.23 g/mol
LogP4.39
Rot. Bonds1

About 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol

2-methyl-4-[2-(trifluoromethyl)phenyl]phenol (PubChem CID 53219065) has the molecular formula C14H11F3O and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
PubChem CID53219065
Molecular FormulaC14H11F3O
Molecular Weight252.23 g/mol
Exact Mass252.08
IUPAC Name2-methyl-4-[2-(trifluoromethyl)phenyl]phenol
SMILESCc1cc(-c2ccccc2C(F)(F)F)ccc1O
InChIInChI=1S/C14H11F3O/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8,18H,1H3
InChIKeySTZZPXAXZVPHLL-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol (CID 53219065) is 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol is Cc1cc(-c2ccccc2C(F)(F)F)ccc1O.
What is the InChIKey of 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol?
The InChIKey is STZZPXAXZVPHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-9-8-10(6-7-13(9)18)11-4-2-3-5-12(11)14(15,16)17/h2-8,18H,1H3.
What are the key properties of 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol?
2-methyl-4-[2-(trifluoromethyl)phenyl]phenol has a molecular weight of 252.23 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 53219065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).