2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione

C17H15NO3 — CID 86159842

IUPAC2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione
SMILESCCc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C17H15NO3/c1-3-11-6-4-5-10(2)15(11)18-16(20)13-8-7-12(19)9-14(13)17(18)21/h4-9,19H,3H2,1-2H3
InChIKeyQPVCJQXYHJVDJG-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.06
Rot. Bonds2

About 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione

2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione (PubChem CID 86159842) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione
PubChem CID86159842
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione
SMILESCCc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C17H15NO3/c1-3-11-6-4-5-10(2)15(11)18-16(20)13-8-7-12(19)9-14(13)17(18)21/h4-9,19H,3H2,1-2H3
InChIKeyQPVCJQXYHJVDJG-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.06
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

5-hydroxy-2-(4-hydroxy-2,6-dimethylphenyl)isoindole-1,3-dione
CID 19793988
3,4-dibromo-1-(2-ethyl-6-methylphenyl)pyrrole-2,5-dione
CID 14349492
5-chloro-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 13245428
6-(2-ethyl-6-methylphenyl)-13-(1-hydroxy-4-methylpentan-2-yl)-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 118026382
2-(2,6-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 139199918
4-(2,3-dimethylphenyl)-3-ethylphenol
CID 67060116
6-hydroxy-3-methylidene-2-(4-methylphenyl)isoindol-1-one
CID 102006043
3,8-bis(2-ethyl-6-methylphenyl)-1-prop-1-enyl-3,8-phenanthroline-2,4,7,9-tetrone
CID 123557471
(3,3-dimethyl-2-oxobutyl) 2-(2,6-diethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 3844719
4-[[2-(2,6-diethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108766487
6-(2-ethyl-6-methylphenyl)-13-[(4-methyl-1,3-thiazol-2-yl)amino]-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 89274066
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione (CID 86159842) is 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione is CCc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione?
The InChIKey is QPVCJQXYHJVDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-11-6-4-5-10(2)15(11)18-16(20)13-8-7-12(19)9-14(13)17(18)21/h4-9,19H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione?
2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)-5-hydroxyisoindole-1,3-dione is sourced from PubChem (CID 86159842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).