2-[4-(trifluoromethyl)phenyl]phenol

C13H9F3O — CID 11230142

IUPAC2-[4-(trifluoromethyl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3O/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H
InChIKeyROYWNPVVVXHAHT-UHFFFAOYSA-N
MW238.21 g/mol
LogP4.08
Rot. Bonds1

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

2-[4-(trifluoromethyl)phenyl]phenol (PubChem CID 11230142) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]phenol
PubChem CID11230142
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3O/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H
InChIKeyROYWNPVVVXHAHT-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]phenol (CID 11230142) is 2-[4-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]phenol is Oc1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]phenol?
The InChIKey is ROYWNPVVVXHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17/h1-8,17H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]phenol?
2-[4-(trifluoromethyl)phenyl]phenol has a molecular weight of 238.21 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 11230142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).