5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C21H23NO3 — CID 163015067

IUPAC5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1ccc(-c2ccc(O)c3c2CCNC3C)c2c1C(O)=CCC2
InChIInChI=1S/C21H23NO3/c1-12-20-16(10-11-22-12)13(6-8-18(20)24)14-7-9-19(25-2)21-15(14)4-3-5-17(21)23/h5-9,12,22-24H,3-4,10-11H2,1-2H3
InChIKeyDYJGDVCTHGRZQM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.12
Rot. Bonds2

About 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 163015067) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID163015067
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCOc1ccc(-c2ccc(O)c3c2CCNC3C)c2c1C(O)=CCC2
InChIInChI=1S/C21H23NO3/c1-12-20-16(10-11-22-12)13(6-8-18(20)24)14-7-9-19(25-2)21-15(14)4-3-5-17(21)23/h5-9,12,22-24H,3-4,10-11H2,1-2H3
InChIKeyDYJGDVCTHGRZQM-UHFFFAOYSA-N
XLogP4.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 163015067) is 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is COc1ccc(-c2ccc(O)c3c2CCNC3C)c2c1C(O)=CCC2.
What is the InChIKey of 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is DYJGDVCTHGRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-12-20-16(10-11-22-12)13(6-8-18(20)24)14-7-9-19(25-2)21-15(14)4-3-5-17(21)23/h5-9,12,22-24H,3-4,10-11H2,1-2H3.
What are the key properties of 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 337.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 163015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).