1-isoquinolin-8-ylethanol

C11H11NO — CID 82575882

IUPAC1-isoquinolin-8-ylethanol
SMILESCC(O)c1cccc2ccncc12
InChIInChI=1S/C11H11NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-8,13H,1H3
InChIKeyXJHWVKVPOQCBOW-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.29
Rot. Bonds1

About 1-isoquinolin-8-ylethanol

1-isoquinolin-8-ylethanol (PubChem CID 82575882) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-isoquinolin-8-ylethanol.

Molecular Properties

Compound Name1-isoquinolin-8-ylethanol
PubChem CID82575882
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1-isoquinolin-8-ylethanol
SMILESCC(O)c1cccc2ccncc12
InChIInChI=1S/C11H11NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-8,13H,1H3
InChIKeyXJHWVKVPOQCBOW-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-ylethanol?
The IUPAC name of 1-isoquinolin-8-ylethanol (CID 82575882) is 1-isoquinolin-8-ylethanol.
What is the SMILES notation for 1-isoquinolin-8-ylethanol?
The canonical SMILES for 1-isoquinolin-8-ylethanol is CC(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-ylethanol?
The InChIKey is XJHWVKVPOQCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-8,13H,1H3.
What are the key properties of 1-isoquinolin-8-ylethanol?
1-isoquinolin-8-ylethanol has a molecular weight of 173.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-ylethanol is sourced from PubChem (CID 82575882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).