2-benzyl-3-hydroxy-3-methylisoindol-1-one

C16H15NO2 — CID 650824

IUPAC2-benzyl-3-hydroxy-3-methylisoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c1-16(19)14-10-6-5-9-13(14)15(18)17(16)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyOJTWILOQAYSBIU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.51
Rot. Bonds2

About 2-benzyl-3-hydroxy-3-methylisoindol-1-one

2-benzyl-3-hydroxy-3-methylisoindol-1-one (PubChem CID 650824) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-3-methylisoindol-1-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-3-methylisoindol-1-one
PubChem CID650824
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-benzyl-3-hydroxy-3-methylisoindol-1-one
SMILESCC1(O)c2ccccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2/c1-16(19)14-10-6-5-9-13(14)15(18)17(16)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKeyOJTWILOQAYSBIU-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.51
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-3-methylisoindol-1-one?
The IUPAC name of 2-benzyl-3-hydroxy-3-methylisoindol-1-one (CID 650824) is 2-benzyl-3-hydroxy-3-methylisoindol-1-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-3-methylisoindol-1-one?
The canonical SMILES for 2-benzyl-3-hydroxy-3-methylisoindol-1-one is CC1(O)c2ccccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-hydroxy-3-methylisoindol-1-one?
The InChIKey is OJTWILOQAYSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(19)14-10-6-5-9-13(14)15(18)17(16)11-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3.
What are the key properties of 2-benzyl-3-hydroxy-3-methylisoindol-1-one?
2-benzyl-3-hydroxy-3-methylisoindol-1-one has a molecular weight of 253.30 g/mol, XLogP of 2.51, 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-3-methylisoindol-1-one is sourced from PubChem (CID 650824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).