4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol

C20H25NO5 — CID 1067862

IUPAC4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc2c(cc1OC)CN(Cc1cc(OC)c(O)c(OC)c1)CC2
InChIInChI=1S/C20H25NO5/c1-23-16-9-14-5-6-21(12-15(14)10-17(16)24-2)11-13-7-18(25-3)20(22)19(8-13)26-4/h7-10,22H,5-6,11-12H2,1-4H3
InChIKeyMYZOTMLMTMUUEX-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.98
Rot. Bonds6

About 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol

4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol (PubChem CID 1067862) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol
PubChem CID1067862
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc2c(cc1OC)CN(Cc1cc(OC)c(O)c(OC)c1)CC2
InChIInChI=1S/C20H25NO5/c1-23-16-9-14-5-6-21(12-15(14)10-17(16)24-2)11-13-7-18(25-3)20(22)19(8-13)26-4/h7-10,22H,5-6,11-12H2,1-4H3
InChIKeyMYZOTMLMTMUUEX-UHFFFAOYSA-N
XLogP2.98
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol 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 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol (CID 1067862) is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol is COc1cc2c(cc1OC)CN(Cc1cc(OC)c(O)c(OC)c1)CC2.
What is the InChIKey of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol?
The InChIKey is MYZOTMLMTMUUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-23-16-9-14-5-6-21(12-15(14)10-17(16)24-2)11-13-7-18(25-3)20(22)19(8-13)26-4/h7-10,22H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol?
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol has a molecular weight of 359.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 1067862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).