2-(2,4-dihydroxyphenyl)isoindole-1,3-dione

C14H9NO4 — CID 168516422

IUPAC2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(O)cc1O
InChIInChI=1S/C14H9NO4/c16-8-5-6-11(12(17)7-8)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,16-17H
InChIKeyBCPVSHKALZLBKT-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.90
Rot. Bonds1

About 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione

2-(2,4-dihydroxyphenyl)isoindole-1,3-dione (PubChem CID 168516422) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
PubChem CID168516422
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-(2,4-dihydroxyphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(O)cc1O
InChIInChI=1S/C14H9NO4/c16-8-5-6-11(12(17)7-8)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,16-17H
InChIKeyBCPVSHKALZLBKT-UHFFFAOYSA-N
XLogP1.90
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-5-hydroxybenzoic acid
CID 61406083
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
CID 172816756
2-(5-hydroxy-1,3-dioxoisoindol-2-yl)benzonitrile
CID 86159862
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 64788256
2-(2-amino-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
CID 107698096
2-(2-hydroxyphenyl)-5-(2-phenylethynyl)isoindole-1,3-dione
CID 139971344
2-[13-(2-carboxy-4-hydroxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-5-hydroxybenzoic acid
CID 102524592
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
7,18-bis(2-hydroxyphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 153390185
2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 137429251

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione (CID 168516422) is 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione?
The InChIKey is BCPVSHKALZLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-8-5-6-11(12(17)7-8)15-13(18)9-3-1-2-4-10(9)14(15)19/h1-7,16-17H.
What are the key properties of 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione?
2-(2,4-dihydroxyphenyl)isoindole-1,3-dione has a molecular weight of 255.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168516422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).