(1,6-dimethylisoquinolin-5-yl)methanol

C12H13NO — CID 115017282

IUPAC(1,6-dimethylisoquinolin-5-yl)methanol
SMILESCc1ccc2c(C)nccc2c1CO
InChIInChI=1S/C12H13NO/c1-8-3-4-10-9(2)13-6-5-11(10)12(8)7-14/h3-6,14H,7H2,1-2H3
InChIKeyMKTYXFFCHJMTMK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.34
Rot. Bonds1

About (1,6-dimethylisoquinolin-5-yl)methanol

(1,6-dimethylisoquinolin-5-yl)methanol (PubChem CID 115017282) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (1,6-dimethylisoquinolin-5-yl)methanol.

Molecular Properties

Compound Name(1,6-dimethylisoquinolin-5-yl)methanol
PubChem CID115017282
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(1,6-dimethylisoquinolin-5-yl)methanol
SMILESCc1ccc2c(C)nccc2c1CO
InChIInChI=1S/C12H13NO/c1-8-3-4-10-9(2)13-6-5-11(10)12(8)7-14/h3-6,14H,7H2,1-2H3
InChIKeyMKTYXFFCHJMTMK-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylisoquinolin-5-yl)methanol?
The IUPAC name of (1,6-dimethylisoquinolin-5-yl)methanol (CID 115017282) is (1,6-dimethylisoquinolin-5-yl)methanol.
What is the SMILES notation for (1,6-dimethylisoquinolin-5-yl)methanol?
The canonical SMILES for (1,6-dimethylisoquinolin-5-yl)methanol is Cc1ccc2c(C)nccc2c1CO.
What is the InChIKey of (1,6-dimethylisoquinolin-5-yl)methanol?
The InChIKey is MKTYXFFCHJMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-3-4-10-9(2)13-6-5-11(10)12(8)7-14/h3-6,14H,7H2,1-2H3.
What are the key properties of (1,6-dimethylisoquinolin-5-yl)methanol?
(1,6-dimethylisoquinolin-5-yl)methanol has a molecular weight of 187.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylisoquinolin-5-yl)methanol is sourced from PubChem (CID 115017282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).