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

Analyze 3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5-isocyano-2,3-dihydroisoindol-1-one
CID 123994273
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
6-benzylpiperazine-2,3,5-trione
CID 14446168
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
6-hydroxy-2-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 11427427
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
3-benzyl-2,3-dihydroisoindole-1-thione
CID 102444640

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).