isoquinolin-4-ylmethanol

C10H9NO — CID 12746377

IUPACisoquinolin-4-ylmethanol
SMILESOCc1cncc2ccccc12
InChIInChI=1S/C10H9NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-6,12H,7H2
InChIKeyQWTIYWBQFLATTN-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.73
Rot. Bonds1

About isoquinolin-4-ylmethanol

isoquinolin-4-ylmethanol (PubChem CID 12746377) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is isoquinolin-4-ylmethanol.

Molecular Properties

Compound Nameisoquinolin-4-ylmethanol
PubChem CID12746377
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Nameisoquinolin-4-ylmethanol
SMILESOCc1cncc2ccccc12
InChIInChI=1S/C10H9NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-6,12H,7H2
InChIKeyQWTIYWBQFLATTN-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

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Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-ylmethanol?
The IUPAC name of isoquinolin-4-ylmethanol (CID 12746377) is isoquinolin-4-ylmethanol.
What is the SMILES notation for isoquinolin-4-ylmethanol?
The canonical SMILES for isoquinolin-4-ylmethanol is OCc1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-ylmethanol?
The InChIKey is QWTIYWBQFLATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-6,12H,7H2.
What are the key properties of isoquinolin-4-ylmethanol?
isoquinolin-4-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-4-ylmethanol is sourced from PubChem (CID 12746377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).