(1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol

C24H27NO3 — CID 10045147

About (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol

(1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol (PubChem CID 10045147) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

• Compound Name: (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
• PubChem CID: 10045147
• Molecular Formula: C24H27NO3
• Molecular Weight: 377.48 g/mol
• Exact Mass: 377.20
• IUPAC Name: (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
• SMILES: COc1cc(C)c(-c2ccc(O)c3c2C[C@@H](C)N(C)[C@@H]3C)c2cccc(O)c12
• InChI: InChI=1S/C24H27NO3/c1-13-11-21(28-5)24-17(7-6-8-19(24)26)22(13)16-9-10-20(27)23-15(3)25(4)14(2)12-18(16)23/h6-11,14-15,26-27H,12H2,1-5H3/t14-,15-/m1/s1
• InChIKey: WUAQBZLNKYKBAM-HUUCEWRRSA-N
• XLogP: 5.17
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.48
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol?

The IUPAC name of (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol (CID 10045147) is (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol.

What is the SMILES notation for (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol?

The canonical SMILES for (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol is COc1cc(C)c(-c2ccc(O)c3c2C[C@@H](C)N(C)[C@@H]3C)c2cccc(O)c12.

What is the InChIKey of (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol?

The InChIKey is WUAQBZLNKYKBAM-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H27NO3/c1-13-11-21(28-5)24-17(7-6-8-19(24)26)22(13)16-9-10-20(27)23-15(3)25(4)14(2)12-18(16)23/h6-11,14-15,26-27H,12H2,1-5H3/t14-,15-/m1/s1.

What are the key properties of (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol?

(1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol has a molecular weight of 377.48 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3R)-5-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 10045147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).