3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one

C15H13NO2 — CID 71003969

IUPAC3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NC(Cc2ccccc2)c2cc(O)ccc21
InChIInChI=1S/C15H13NO2/c17-11-6-7-12-13(9-11)14(16-15(12)18)8-10-4-2-1-3-5-10/h1-7,9,14,17H,8H2,(H,16,18)
InChIKeyQDYOSINPFKWZGD-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.42
Rot. Bonds2

About 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one

3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one (PubChem CID 71003969) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
PubChem CID71003969
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NC(Cc2ccccc2)c2cc(O)ccc21
InChIInChI=1S/C15H13NO2/c17-11-6-7-12-13(9-11)14(16-15(12)18)8-10-4-2-1-3-5-10/h1-7,9,14,17H,8H2,(H,16,18)
InChIKeyQDYOSINPFKWZGD-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one (CID 71003969) is 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one is O=C1NC(Cc2ccccc2)c2cc(O)ccc21.
What is the InChIKey of 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one?
The InChIKey is QDYOSINPFKWZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-11-6-7-12-13(9-11)14(16-15(12)18)8-10-4-2-1-3-5-10/h1-7,9,14,17H,8H2,(H,16,18).
What are the key properties of 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one?
3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 71003969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).