4-(2-methylphenyl)-2,3-dihydroisoindol-1-one

C15H13NO — CID 172876033

IUPAC4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
SMILESCc1ccccc1-c1cccc2c1CNC2=O
InChIInChI=1S/C15H13NO/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)9-16-15(13)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyHDULIXVBOGDGDG-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.91
Rot. Bonds1

About 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one

4-(2-methylphenyl)-2,3-dihydroisoindol-1-one (PubChem CID 172876033) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
PubChem CID172876033
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
SMILESCc1ccccc1-c1cccc2c1CNC2=O
InChIInChI=1S/C15H13NO/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)9-16-15(13)17/h2-8H,9H2,1H3,(H,16,17)
InChIKeyHDULIXVBOGDGDG-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one (CID 172876033) is 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one is Cc1ccccc1-c1cccc2c1CNC2=O.
What is the InChIKey of 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is HDULIXVBOGDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-5-2-3-6-11(10)12-7-4-8-13-14(12)9-16-15(13)17/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one?
4-(2-methylphenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 223.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 172876033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).