2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one

C24H23NO2 — CID 2152225

IUPAC2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
SMILESCc1ccccc1CN1CCc2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C24H23NO2/c1-18-8-5-6-11-20(18)16-25-15-14-21-22(24(25)26)12-7-13-23(21)27-17-19-9-3-2-4-10-19/h2-13H,14-17H2,1H3
InChIKeySYVLUSWOYLCKJR-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.77
Rot. Bonds5

About 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one

2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 2152225) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
PubChem CID2152225
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
SMILESCc1ccccc1CN1CCc2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C24H23NO2/c1-18-8-5-6-11-20(18)16-25-15-14-21-22(24(25)26)12-7-13-23(21)27-17-19-9-3-2-4-10-19/h2-13H,14-17H2,1H3
InChIKeySYVLUSWOYLCKJR-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one (CID 2152225) is 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one is Cc1ccccc1CN1CCc2c(OCc3ccccc3)cccc2C1=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is SYVLUSWOYLCKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18-8-5-6-11-20(18)16-25-15-14-21-22(24(25)26)12-7-13-23(21)27-17-19-9-3-2-4-10-19/h2-13H,14-17H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 357.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).