(1-methylisoquinolin-6-yl)methanol

C11H11NO — CID 117277021

IUPAC(1-methylisoquinolin-6-yl)methanol
SMILESCc1nccc2cc(CO)ccc12
InChIInChI=1S/C11H11NO/c1-8-11-3-2-9(7-13)6-10(11)4-5-12-8/h2-6,13H,7H2,1H3
InChIKeyXPWZDQIRRVUCKA-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.04
Rot. Bonds1

About (1-methylisoquinolin-6-yl)methanol

(1-methylisoquinolin-6-yl)methanol (PubChem CID 117277021) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (1-methylisoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(1-methylisoquinolin-6-yl)methanol
PubChem CID117277021
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(1-methylisoquinolin-6-yl)methanol
SMILESCc1nccc2cc(CO)ccc12
InChIInChI=1S/C11H11NO/c1-8-11-3-2-9(7-13)6-10(11)4-5-12-8/h2-6,13H,7H2,1H3
InChIKeyXPWZDQIRRVUCKA-UHFFFAOYSA-N
XLogP2.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylisoquinolin-6-yl)methanol?
The IUPAC name of (1-methylisoquinolin-6-yl)methanol (CID 117277021) is (1-methylisoquinolin-6-yl)methanol.
What is the SMILES notation for (1-methylisoquinolin-6-yl)methanol?
The canonical SMILES for (1-methylisoquinolin-6-yl)methanol is Cc1nccc2cc(CO)ccc12.
What is the InChIKey of (1-methylisoquinolin-6-yl)methanol?
The InChIKey is XPWZDQIRRVUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-11-3-2-9(7-13)6-10(11)4-5-12-8/h2-6,13H,7H2,1H3.
What are the key properties of (1-methylisoquinolin-6-yl)methanol?
(1-methylisoquinolin-6-yl)methanol has a molecular weight of 173.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylisoquinolin-6-yl)methanol is sourced from PubChem (CID 117277021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).