3-chloro-5-[4-(trifluoromethyl)phenyl]phenol

C13H8ClF3O — CID 53221450

IUPAC3-chloro-5-[4-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(Cl)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H8ClF3O/c14-11-5-9(6-12(18)7-11)8-1-3-10(4-2-8)13(15,16)17/h1-7,18H
InChIKeyJLDXYOLLZUBMDZ-UHFFFAOYSA-N
MW272.65 g/mol
LogP4.73
Rot. Bonds1

About 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol

3-chloro-5-[4-(trifluoromethyl)phenyl]phenol (PubChem CID 53221450) has the molecular formula C13H8ClF3O and a molecular weight of 272.65 g/mol. Its IUPAC name is 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name3-chloro-5-[4-(trifluoromethyl)phenyl]phenol
PubChem CID53221450
Molecular FormulaC13H8ClF3O
Molecular Weight272.65 g/mol
Exact Mass272.02
IUPAC Name3-chloro-5-[4-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(Cl)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H8ClF3O/c14-11-5-9(6-12(18)7-11)8-1-3-10(4-2-8)13(15,16)17/h1-7,18H
InChIKeyJLDXYOLLZUBMDZ-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol (CID 53221450) is 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol is Oc1cc(Cl)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol?
The InChIKey is JLDXYOLLZUBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O/c14-11-5-9(6-12(18)7-11)8-1-3-10(4-2-8)13(15,16)17/h1-7,18H.
What are the key properties of 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol?
3-chloro-5-[4-(trifluoromethyl)phenyl]phenol has a molecular weight of 272.65 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 53221450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).