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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Related Compounds

5-[(4-fluorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152142
5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152064
2-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
CID 2152027
5-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152029
N-(1,3-benzothiazol-2-yl)-2-[[2-[(2-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 4583159
2-[(3-methylphenyl)methyl]-5-propoxy-3,4-dihydroisoquinolin-1-one
CID 2152180
5-butoxy-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152182
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152198
2-[(4-chlorophenyl)methyl]-5-methoxy-3,4-dihydroisoquinolin-1-one
CID 4054509
2-[(4-fluorophenyl)methyl]-5-(1-phenylethoxy)-3,4-dihydroisoquinolin-1-one
CID 3652278
2-[(4-bromophenyl)methyl]-5-(1-phenylethoxy)-3,4-dihydroisoquinolin-1-one
CID 4623560
2-methyl-5-[[4-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydroisoquinolin-1-one
CID 156892030

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).