4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol

C19H23NO3 — CID 2752182

IUPAC4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
SMILESCOc1cc2c(c(C)c1OC)C(Cc1ccc(O)cc1)NCC2
InChIInChI=1S/C19H23NO3/c1-12-18-14(11-17(22-2)19(12)23-3)8-9-20-16(18)10-13-4-6-15(21)7-5-13/h4-7,11,16,20-21H,8-10H2,1-3H3
InChIKeyYSMUOYHZXXHUDU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.15
Rot. Bonds4

About 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol

4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol (PubChem CID 2752182) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
PubChem CID2752182
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol
SMILESCOc1cc2c(c(C)c1OC)C(Cc1ccc(O)cc1)NCC2
InChIInChI=1S/C19H23NO3/c1-12-18-14(11-17(22-2)19(12)23-3)8-9-20-16(18)10-13-4-6-15(21)7-5-13/h4-7,11,16,20-21H,8-10H2,1-3H3
InChIKeyYSMUOYHZXXHUDU-UHFFFAOYSA-N
XLogP3.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol?
The IUPAC name of 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol (CID 2752182) is 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol is COc1cc2c(c(C)c1OC)C(Cc1ccc(O)cc1)NCC2.
What is the InChIKey of 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol?
The InChIKey is YSMUOYHZXXHUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-18-14(11-17(22-2)19(12)23-3)8-9-20-16(18)10-13-4-6-15(21)7-5-13/h4-7,11,16,20-21H,8-10H2,1-3H3.
What are the key properties of 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol?
4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol has a molecular weight of 313.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol is sourced from PubChem (CID 2752182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).