2-benzyl-3-hydroxy-3H-isoindol-1-one

C15H13NO2 — CID 3240743

IUPAC2-benzyl-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2
InChIKeyXEFXQIBENKOFCP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.33
Rot. Bonds2

About 2-benzyl-3-hydroxy-3H-isoindol-1-one

2-benzyl-3-hydroxy-3H-isoindol-1-one (PubChem CID 3240743) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-3H-isoindol-1-one
PubChem CID3240743
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-benzyl-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2
InChIKeyXEFXQIBENKOFCP-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-benzyl-3-hydroxy-3H-isoindol-1-one (CID 3240743) is 2-benzyl-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-benzyl-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-hydroxy-3H-isoindol-1-one?
The InChIKey is XEFXQIBENKOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9,14,17H,10H2.
What are the key properties of 2-benzyl-3-hydroxy-3H-isoindol-1-one?
2-benzyl-3-hydroxy-3H-isoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 3240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).