isoquinolin-1-ylmethanol

C10H9NO — CID 2776247

IUPACisoquinolin-1-ylmethanol
SMILESOCc1nccc2ccccc12
InChIInChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
InChIKeyHQABEHZXAJHCLV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.73
Rot. Bonds1

About isoquinolin-1-ylmethanol

isoquinolin-1-ylmethanol (PubChem CID 2776247) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is isoquinolin-1-ylmethanol.

Molecular Properties

Compound Nameisoquinolin-1-ylmethanol
PubChem CID2776247
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Nameisoquinolin-1-ylmethanol
SMILESOCc1nccc2ccccc12
InChIInChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
InChIKeyHQABEHZXAJHCLV-UHFFFAOYSA-N
XLogP1.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze isoquinolin-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of isoquinolin-1-ylmethanol?
The IUPAC name of isoquinolin-1-ylmethanol (CID 2776247) is isoquinolin-1-ylmethanol.
What is the SMILES notation for isoquinolin-1-ylmethanol?
The canonical SMILES for isoquinolin-1-ylmethanol is OCc1nccc2ccccc12.
What is the InChIKey of isoquinolin-1-ylmethanol?
The InChIKey is HQABEHZXAJHCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2.
What are the key properties of isoquinolin-1-ylmethanol?
isoquinolin-1-ylmethanol has a molecular weight of 159.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-1-ylmethanol is sourced from PubChem (CID 2776247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).