1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline

C24H23NO2 — CID 10991952

IUPAC1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2Cc1ccccc1
InChIInChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3
InChIKeyFAKBKTUOYGNBQM-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.86
Rot. Bonds6

About 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline

1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 10991952) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID10991952
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2Cc1ccccc1
InChIInChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3
InChIKeyFAKBKTUOYGNBQM-UHFFFAOYSA-N
XLogP4.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 10991952) is 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OCc1ccccc1)CCN=C2Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is FAKBKTUOYGNBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3.
What are the key properties of 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 357.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 10991952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).