2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol

C17H12F3NO2 — CID 66559034

IUPAC2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3ccc(C(F)(F)F)cc23)cc1O
InChIInChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-4-3-11(9-13(12)14)17(18,19)20/h2-9,22H,1H3
InChIKeyYMRYFOVQCANTES-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.63
Rot. Bonds2

About 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol

2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol (PubChem CID 66559034) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol
PubChem CID66559034
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3ccc(C(F)(F)F)cc23)cc1O
InChIInChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-4-3-11(9-13(12)14)17(18,19)20/h2-9,22H,1H3
InChIKeyYMRYFOVQCANTES-UHFFFAOYSA-N
XLogP4.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]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 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol (CID 66559034) is 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol is COc1ccc(-c2ccnc3ccc(C(F)(F)F)cc23)cc1O.
What is the InChIKey of 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol?
The InChIKey is YMRYFOVQCANTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-4-3-11(9-13(12)14)17(18,19)20/h2-9,22H,1H3.
What are the key properties of 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol?
2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol has a molecular weight of 319.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol is sourced from PubChem (CID 66559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).