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

C14H11NO2 — CID 175436163

IUPAC3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H11NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8,14,17H,(H,15,16)
InChIKeyBOKOMKRISUKDCH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.09
Rot. Bonds1

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

3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one (PubChem CID 175436163) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
PubChem CID175436163
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C14H11NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8,14,17H,(H,15,16)
InChIKeyBOKOMKRISUKDCH-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzoyl-3-hydroxy-1-oxo-3-phenylisoindole-5-carboxylic acid;3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one
CID 175436162
(3S)-5-bromo-3-hydroxy-2,3-dihydroisoindol-1-one
CID 86314575
2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol
CID 102443585
3-methyl-5-phenyl-3H-2-benzofuran-1-one
CID 156634923
3-methyl-5-phenyl-2,3-dihydroinden-1-one
CID 11637152
5-[4-[4-[4-[4-(1,3-dioxoisoindol-5-yl)phenyl]phenyl]phenyl]phenyl]isoindole-1,3-dione
CID 102137846
heptalene-2,3-dione
CID 71333397
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
5-[4-(2-phenylethyl)phenyl]isoindole-1,3-dione
CID 142766424
5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one (CID 175436163) is 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one is O=C1NC(O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one?
The InChIKey is BOKOMKRISUKDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-8,14,17H,(H,15,16).
What are the key properties of 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one?
3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one has a molecular weight of 225.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175436163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).