4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol

C17H12F3NO3 — CID 137341333

IUPAC4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol
SMILESCOc1cccc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc12
InChIInChI=1S/C17H12F3NO3/c1-23-14-4-2-3-10-5-7-12(21-16(10)14)11-6-8-13(22)15(9-11)24-17(18,19)20/h2-9,22H,1H3
InChIKeyQMPQUQAYBIWJME-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.51
Rot. Bonds3

About 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol

4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol (PubChem CID 137341333) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol
PubChem CID137341333
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol
SMILESCOc1cccc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc12
InChIInChI=1S/C17H12F3NO3/c1-23-14-4-2-3-10-5-7-12(21-16(10)14)11-6-8-13(22)15(9-11)24-17(18,19)20/h2-9,22H,1H3
InChIKeyQMPQUQAYBIWJME-UHFFFAOYSA-N
XLogP4.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-8-methoxyquinoline
CID 54155138
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
1-[3,4-bis(trifluoromethoxy)phenyl]-2,3-dimethoxybenzene
CID 91307892
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
[2-[3-(trifluoromethyl)phenyl]quinolin-8-yl] heptanoate
CID 155519028
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
CID 137335370

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol?
The IUPAC name of 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol (CID 137341333) is 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol?
The canonical SMILES for 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol is COc1cccc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc12.
What is the InChIKey of 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol?
The InChIKey is QMPQUQAYBIWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c1-23-14-4-2-3-10-5-7-12(21-16(10)14)11-6-8-13(22)15(9-11)24-17(18,19)20/h2-9,22H,1H3.
What are the key properties of 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol?
4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol has a molecular weight of 335.28 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-2-yl)-2-(trifluoromethoxy)phenol is sourced from PubChem (CID 137341333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).