3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one

C24H21NO3 — CID 2732546

IUPAC3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(=O)c2ccc(C)c(C)c2O)cc1
InChIInChI=1S/C24H21NO3/c1-14-8-11-17(12-9-14)25-21(18-6-4-5-7-19(18)24(25)28)23(27)20-13-10-15(2)16(3)22(20)26/h4-13,21,26H,1-3H3
InChIKeyOZVUPDHCCWNUGQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.90
Rot. Bonds3

About 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one

3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one (PubChem CID 2732546) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
PubChem CID2732546
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2C(=O)c2ccc(C)c(C)c2O)cc1
InChIInChI=1S/C24H21NO3/c1-14-8-11-17(12-9-14)25-21(18-6-4-5-7-19(18)24(25)28)23(27)20-13-10-15(2)16(3)22(20)26/h4-13,21,26H,1-3H3
InChIKeyOZVUPDHCCWNUGQ-UHFFFAOYSA-N
XLogP4.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The IUPAC name of 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one (CID 2732546) is 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2C(=O)c2ccc(C)c(C)c2O)cc1.
What is the InChIKey of 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
The InChIKey is OZVUPDHCCWNUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-14-8-11-17(12-9-14)25-21(18-6-4-5-7-19(18)24(25)28)23(27)20-13-10-15(2)16(3)22(20)26/h4-13,21,26H,1-3H3.
What are the key properties of 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one?
3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one has a molecular weight of 371.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 2732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).