2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol

C14H21NO4 — CID 110457131

IUPAC2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESCOc1cc2c(c(OC)c1OC)CCN(CCO)C2
InChIInChI=1S/C14H21NO4/c1-17-12-8-10-9-15(6-7-16)5-4-11(10)13(18-2)14(12)19-3/h8,16H,4-7,9H2,1-3H3
InChIKeyHQEKZLKGBYQITQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.06
Rot. Bonds5

About 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol

2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol (PubChem CID 110457131) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
PubChem CID110457131
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
SMILESCOc1cc2c(c(OC)c1OC)CCN(CCO)C2
InChIInChI=1S/C14H21NO4/c1-17-12-8-10-9-15(6-7-16)5-4-11(10)13(18-2)14(12)19-3/h8,16H,4-7,9H2,1-3H3
InChIKeyHQEKZLKGBYQITQ-UHFFFAOYSA-N
XLogP1.06
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol 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 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The IUPAC name of 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol (CID 110457131) is 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol.
What is the SMILES notation for 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The canonical SMILES for 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol is COc1cc2c(c(OC)c1OC)CCN(CCO)C2.
What is the InChIKey of 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
The InChIKey is HQEKZLKGBYQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-12-8-10-9-15(6-7-16)5-4-11(10)13(18-2)14(12)19-3/h8,16H,4-7,9H2,1-3H3.
What are the key properties of 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol?
2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol has a molecular weight of 267.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol is sourced from PubChem (CID 110457131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).