(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol

C13H17NO2 — CID 15047393

IUPAC(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol
SMILESCCOC1=NCc2ccccc2C1(C)CO
InChIInChI=1S/C13H17NO2/c1-3-16-12-13(2,9-15)11-7-5-4-6-10(11)8-14-12/h4-7,15H,3,8-9H2,1-2H3
InChIKeyHDRRMNUGHRVMHX-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds2

About (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol

(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol (PubChem CID 15047393) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol.

Molecular Properties

Compound Name(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol
PubChem CID15047393
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol
SMILESCCOC1=NCc2ccccc2C1(C)CO
InChIInChI=1S/C13H17NO2/c1-3-16-12-13(2,9-15)11-7-5-4-6-10(11)8-14-12/h4-7,15H,3,8-9H2,1-2H3
InChIKeyHDRRMNUGHRVMHX-UHFFFAOYSA-N
XLogP1.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol?
The IUPAC name of (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol (CID 15047393) is (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol.
What is the SMILES notation for (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol?
The canonical SMILES for (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol is CCOC1=NCc2ccccc2C1(C)CO.
What is the InChIKey of (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol?
The InChIKey is HDRRMNUGHRVMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-12-13(2,9-15)11-7-5-4-6-10(11)8-14-12/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol?
(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol has a molecular weight of 219.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol is sourced from PubChem (CID 15047393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).