phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

C23H19NO2 — CID 11013264

IUPACphenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESO=C(C1=NCCc2cc(OCc3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-23(18-9-5-2-6-10-18)22-21-12-11-20(15-19(21)13-14-24-22)26-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyBHYGYQYXXXYENV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.49
Rot. Bonds5

About phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 11013264) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID11013264
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Namephenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESO=C(C1=NCCc2cc(OCc3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C23H19NO2/c25-23(18-9-5-2-6-10-18)22-21-12-11-20(15-19(21)13-14-24-22)26-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyBHYGYQYXXXYENV-UHFFFAOYSA-N
XLogP4.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 11013264) is phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is O=C(C1=NCCc2cc(OCc3ccccc3)ccc21)c1ccccc1.
What is the InChIKey of phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is BHYGYQYXXXYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c25-23(18-9-5-2-6-10-18)22-21-12-11-20(15-19(21)13-14-24-22)26-16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2.
What are the key properties of phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 11013264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).