5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol

C19H23NO4 — CID 792291

IUPAC5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1O
InChIInChI=1S/C19H23NO4/c1-22-17-5-4-13(8-16(17)21)11-20-7-6-14-9-18(23-2)19(24-3)10-15(14)12-20/h4-5,8-10,21H,6-7,11-12H2,1-3H3
InChIKeyPLFGRBPWZRSCHW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.98
Rot. Bonds5

About 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol

5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol (PubChem CID 792291) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
PubChem CID792291
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1O
InChIInChI=1S/C19H23NO4/c1-22-17-5-4-13(8-16(17)21)11-20-7-6-14-9-18(23-2)19(24-3)10-15(14)12-20/h4-5,8-10,21H,6-7,11-12H2,1-3H3
InChIKeyPLFGRBPWZRSCHW-UHFFFAOYSA-N
XLogP2.98
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol (CID 792291) is 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol is COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1O.
What is the InChIKey of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol?
The InChIKey is PLFGRBPWZRSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-17-5-4-13(8-16(17)21)11-20-7-6-14-9-18(23-2)19(24-3)10-15(14)12-20/h4-5,8-10,21H,6-7,11-12H2,1-3H3.
What are the key properties of 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol?
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol has a molecular weight of 329.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 792291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).