2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol

C19H15NO2 — CID 166360506

IUPAC2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol
SMILESOCCc1cc2cc(-c3cccc4cnccc34)ccc2o1
InChIInChI=1S/C19H15NO2/c21-9-7-16-11-15-10-13(4-5-19(15)22-16)17-3-1-2-14-12-20-8-6-18(14)17/h1-6,8,10-12,21H,7,9H2
InChIKeyXYGYAOIVGPVDQX-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.18
Rot. Bonds3

About 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol

2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol (PubChem CID 166360506) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol
PubChem CID166360506
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol
SMILESOCCc1cc2cc(-c3cccc4cnccc34)ccc2o1
InChIInChI=1S/C19H15NO2/c21-9-7-16-11-15-10-13(4-5-19(15)22-16)17-3-1-2-14-12-20-8-6-18(14)17/h1-6,8,10-12,21H,7,9H2
InChIKeyXYGYAOIVGPVDQX-UHFFFAOYSA-N
XLogP4.18
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
5-(3-chlorophenyl)isoquinoline
CID 23602252
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-pyrimidin-5-ylisoquinoline
CID 141337488
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
5-(furan-3-yl)isoquinoline
CID 102045200
3-isoquinolin-5-ylbenzaldehyde
CID 62812454
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
CID 11523202
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
1-(2-fluoro-4-isoquinolin-5-ylphenyl)-N-methylmethanamine
CID 62812806

Frequently Asked Questions

What is the IUPAC name of 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol (CID 166360506) is 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol is OCCc1cc2cc(-c3cccc4cnccc34)ccc2o1.
What is the InChIKey of 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol?
The InChIKey is XYGYAOIVGPVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-9-7-16-11-15-10-13(4-5-19(15)22-16)17-3-1-2-14-12-20-8-6-18(14)17/h1-6,8,10-12,21H,7,9H2.
What are the key properties of 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol?
2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol has a molecular weight of 289.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-isoquinolin-5-yl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 166360506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).