2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol

C17H12F3NO2 — CID 66558958

IUPAC2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3cc(C(F)(F)F)ccc23)cc1O
InChIInChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-9-11(17(18,19)20)3-4-13(12)14/h2-9,22H,1H3
InChIKeyXCAUEKZEDSNVBD-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.63
Rot. Bonds2

About 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol

2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol (PubChem CID 66558958) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol
PubChem CID66558958
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCOc1ccc(-c2ccnc3cc(C(F)(F)F)ccc23)cc1O
InChIInChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-9-11(17(18,19)20)3-4-13(12)14/h2-9,22H,1H3
InChIKeyXCAUEKZEDSNVBD-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

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Related Compounds

2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol
CID 66559034
2-methoxy-5-[6-methoxy-7-(trifluoromethyl)quinolin-4-yl]phenol
CID 66559035
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66652889
4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
CID 160718502
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53218469
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181
methanesulfonic acid;4-(7-methoxyquinolin-4-yl)-2-methylphenol
CID 170169423
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
CID 53405298

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol (CID 66558958) is 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol is COc1ccc(-c2ccnc3cc(C(F)(F)F)ccc23)cc1O.
What is the InChIKey of 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol?
The InChIKey is XCAUEKZEDSNVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-23-16-5-2-10(8-15(16)22)12-6-7-21-14-9-11(17(18,19)20)3-4-13(12)14/h2-9,22H,1H3.
What are the key properties of 2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol?
2-methoxy-5-[7-(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-[7-(trifluoromethyl)quinolin-4-yl]phenol is sourced from PubChem (CID 66558958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).