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

C23H21NO2 — CID 11110673

IUPAC7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1
InChIInChI=1S/C23H21NO2/c1-25-21-15-20-19(12-13-24-23(20)18-10-6-3-7-11-18)14-22(21)26-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyOUOPVGRZXKJPEB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.67
Rot. Bonds5

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

7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 11110673) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID11110673
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1
InChIInChI=1S/C23H21NO2/c1-25-21-15-20-19(12-13-24-23(20)18-10-6-3-7-11-18)14-22(21)26-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3
InChIKeyOUOPVGRZXKJPEB-UHFFFAOYSA-N
XLogP4.67
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 11110673) is 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1.
What is the InChIKey of 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is OUOPVGRZXKJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-21-15-20-19(12-13-24-23(20)18-10-6-3-7-11-18)14-22(21)26-16-17-8-4-2-5-9-17/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 343.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 11110673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).