1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol

C17H12F3NO2 — CID 71375615

IUPAC1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol
SMILESCOc1ncc(-c2cccc(C(F)(F)F)c2)c2c(O)cccc12
InChIInChI=1S/C17H12F3NO2/c1-23-16-12-6-3-7-14(22)15(12)13(9-21-16)10-4-2-5-11(8-10)17(18,19)20/h2-9,22H,1H3
InChIKeyHLOQAHQUMXVTGB-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.63
Rot. Bonds2

About 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol

1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol (PubChem CID 71375615) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol.

Molecular Properties

Compound Name1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol
PubChem CID71375615
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol
SMILESCOc1ncc(-c2cccc(C(F)(F)F)c2)c2c(O)cccc12
InChIInChI=1S/C17H12F3NO2/c1-23-16-12-6-3-7-14(22)15(12)13(9-21-16)10-4-2-5-11(8-10)17(18,19)20/h2-9,22H,1H3
InChIKeyHLOQAHQUMXVTGB-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

Juzirine
CID 3085285
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
4-[3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenoxy]-phenol
CID 16718799
Biarylether alcohol quinoline, 5b
CID 16727104
Biarylether alcohol quinoline, 5f
CID 16727105
3-Methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 24827305
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
Biarylether alcohol quinoline, 5a
CID 44472981
Biarylether alcohol quinoline, 5c
CID 44472982
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
CID 25034344
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol?
The IUPAC name of 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol (CID 71375615) is 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol.
What is the SMILES notation for 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol?
The canonical SMILES for 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol is COc1ncc(-c2cccc(C(F)(F)F)c2)c2c(O)cccc12.
What is the InChIKey of 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol?
The InChIKey is HLOQAHQUMXVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-23-16-12-6-3-7-14(22)15(12)13(9-21-16)10-4-2-5-11(8-10)17(18,19)20/h2-9,22H,1H3.
What are the key properties of 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol?
1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol 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 1-methoxy-4-[3-(trifluoromethyl)phenyl]isoquinolin-5-ol is sourced from PubChem (CID 71375615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).