2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol

C18H21NO2 — CID 70688134

IUPAC2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2
InChIInChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3
InChIKeyLRGFOSADSBYZGM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds3

About 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol

2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 70688134) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID70688134
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2
InChIInChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3
InChIKeyLRGFOSADSBYZGM-UHFFFAOYSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 70688134) is 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CC(C)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is LRGFOSADSBYZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-15-9-17(20)18(21-2)10-16(15)12-19(13)11-14-6-4-3-5-7-14/h3-7,9-10,13,20H,8,11-12H2,1-2H3.
What are the key properties of 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol?
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 283.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 70688134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).