2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione

C16H13NO3 — CID 103430852

IUPAC2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H13NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-8,18H,1-2H3
InChIKeyUZCCSMXVJGKCOD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.81
Rot. Bonds1

About 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione

2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430852) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430852
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H13NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-8,18H,1-2H3
InChIKeyUZCCSMXVJGKCOD-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.81
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

6,13-bis(4-hydroxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1102901
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 691521
4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione
CID 13486509
(3E)-1-(4-hydroxyphenyl)-3-[1-(4-methylphenyl)ethylidene]-4-propan-2-ylidenepyrrolidine-2,5-dione
CID 101495102
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
2-(4-hydroxycyclohexyl)-4,7-dimethylisoindole-1,3-dione
CID 103430870
7-(4-hydroxyphenyl)-18-methyl-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 102111251
(5Z)-3-(4-hydroxyphenyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840254
N-formyl-N,2-bis(4-hydroxyphenyl)-7-methyl-1,3-dioxobenzo[de]isoquinoline-6-carboxamide
CID 145129335
CID 159296876
CID 159296876
2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione
CID 103431092

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione (CID 103430852) is 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is UZCCSMXVJGKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9-3-4-10(2)14-13(9)15(19)17(16(14)20)11-5-7-12(18)8-6-11/h3-8,18H,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione?
2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).