4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol

C18H21NO3 — CID 7055092

IUPAC4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)CNC2
InChIInChI=1S/C18H21NO3/c1-11-6-12(4-5-16(11)20)15-10-19-9-13-7-17(21-2)18(22-3)8-14(13)15/h4-8,15,19-20H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyOELWKTXQKFEKFJ-OAHLLOKOSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds3

About 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol

4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol (PubChem CID 7055092) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
PubChem CID7055092
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)CNC2
InChIInChI=1S/C18H21NO3/c1-11-6-12(4-5-16(11)20)15-10-19-9-13-7-17(21-2)18(22-3)8-14(13)15/h4-8,15,19-20H,9-10H2,1-3H3/t15-/m1/s1
InChIKeyOELWKTXQKFEKFJ-OAHLLOKOSA-N
XLogP2.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol?
The IUPAC name of 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol (CID 7055092) is 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol.
What is the SMILES notation for 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol?
The canonical SMILES for 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol is COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)CNC2.
What is the InChIKey of 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol?
The InChIKey is OELWKTXQKFEKFJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-6-12(4-5-16(11)20)15-10-19-9-13-7-17(21-2)18(22-3)8-14(13)15/h4-8,15,19-20H,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol?
4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol has a molecular weight of 299.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol is sourced from PubChem (CID 7055092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).