2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one

C23H21NO3 — CID 59512231

IUPAC2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one
SMILESCOc1ccccc1Oc1cccc(CN2Cc3cccc(C)c3C2=O)c1
InChIInChI=1S/C23H21NO3/c1-16-7-5-9-18-15-24(23(25)22(16)18)14-17-8-6-10-19(13-17)27-21-12-4-3-11-20(21)26-2/h3-13H,14-15H2,1-2H3
InChIKeyMBEVPGMZTDMKSG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.95
Rot. Bonds5

About 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one

2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one (PubChem CID 59512231) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one
PubChem CID59512231
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one
SMILESCOc1ccccc1Oc1cccc(CN2Cc3cccc(C)c3C2=O)c1
InChIInChI=1S/C23H21NO3/c1-16-7-5-9-18-15-24(23(25)22(16)18)14-17-8-6-10-19(13-17)27-21-12-4-3-11-20(21)26-2/h3-13H,14-15H2,1-2H3
InChIKeyMBEVPGMZTDMKSG-UHFFFAOYSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one?
The IUPAC name of 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one (CID 59512231) is 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one.
What is the SMILES notation for 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one?
The canonical SMILES for 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one is COc1ccccc1Oc1cccc(CN2Cc3cccc(C)c3C2=O)c1.
What is the InChIKey of 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one?
The InChIKey is MBEVPGMZTDMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-7-5-9-18-15-24(23(25)22(16)18)14-17-8-6-10-19(13-17)27-21-12-4-3-11-20(21)26-2/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one?
2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one has a molecular weight of 359.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenoxy)phenyl]methyl]-7-methyl-3H-isoindol-1-one is sourced from PubChem (CID 59512231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).