3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one

C15H13NO2 — CID 135044998

IUPAC3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one
SMILESCc1ccccc1C1(O)NC(=O)c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10-6-2-4-8-12(10)15(18)13-9-5-3-7-11(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)
InChIKeyKUIMCWMNHUZXKC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.93
Rot. Bonds1

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

3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one (PubChem CID 135044998) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one
PubChem CID135044998
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one
SMILESCc1ccccc1C1(O)NC(=O)c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10-6-2-4-8-12(10)15(18)13-9-5-3-7-11(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)
InChIKeyKUIMCWMNHUZXKC-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one?
The IUPAC name of 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one (CID 135044998) is 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one is Cc1ccccc1C1(O)NC(=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one?
The InChIKey is KUIMCWMNHUZXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-6-2-4-8-12(10)15(18)13-9-5-3-7-11(13)14(17)16-15/h2-9,18H,1H3,(H,16,17).
What are the key properties of 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one?
3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methylphenyl)-2H-isoindol-1-one is sourced from PubChem (CID 135044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).