2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione

C20H13NO3 — CID 172816756

IUPAC2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C20H13NO3/c22-18-11-10-14(13-6-2-1-3-7-13)12-17(18)21-19(23)15-8-4-5-9-16(15)20(21)24/h1-12,22H
InChIKeySXGWOTIYZSXGCJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione

2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione (PubChem CID 172816756) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
PubChem CID172816756
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C20H13NO3/c22-18-11-10-14(13-6-2-1-3-7-13)12-17(18)21-19(23)15-8-4-5-9-16(15)20(21)24/h1-12,22H
InChIKeySXGWOTIYZSXGCJ-UHFFFAOYSA-N
XLogP3.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
CID 168516422
2-(2-nitro-4-phenylphenyl)isoindole-1,3-dione
CID 3412114
2-[5-(1-adamantyl)-2-hydroxyphenyl]isoindole-1,3-dione
CID 168518406
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]sulfonyl-2-(2-phenylphenyl)isoindole-1,3-dione
CID 3108912
4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
CID 139787348
2-(2-hydroxyphenyl)-5-(2-phenylethynyl)isoindole-1,3-dione
CID 139971344
2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083
5-(4-aminophenyl)-2-[2-[2-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
CID 171043216

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione (CID 172816756) is 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione?
The InChIKey is SXGWOTIYZSXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-18-11-10-14(13-6-2-1-3-7-13)12-17(18)21-19(23)15-8-4-5-9-16(15)20(21)24/h1-12,22H.
What are the key properties of 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione?
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione has a molecular weight of 315.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 172816756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).