2-(2,5-dimethylphenyl)-3H-isoindol-1-one

C16H15NO — CID 25067464

IUPAC2-(2,5-dimethylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(C)c(N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C16H15NO/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16(17)18/h3-9H,10H2,1-2H3
InChIKeyBXHDFWIJQJGBEQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.46
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-3H-isoindol-1-one

2-(2,5-dimethylphenyl)-3H-isoindol-1-one (PubChem CID 25067464) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3H-isoindol-1-one
PubChem CID25067464
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(2,5-dimethylphenyl)-3H-isoindol-1-one
SMILESCc1ccc(C)c(N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C16H15NO/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16(17)18/h3-9H,10H2,1-2H3
InChIKeyBXHDFWIJQJGBEQ-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3H-isoindol-1-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3H-isoindol-1-one (CID 25067464) is 2-(2,5-dimethylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3H-isoindol-1-one is Cc1ccc(C)c(N2Cc3ccccc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3H-isoindol-1-one?
The InChIKey is BXHDFWIJQJGBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16(17)18/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3H-isoindol-1-one?
2-(2,5-dimethylphenyl)-3H-isoindol-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 25067464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).