2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione

C18H15NO4 — CID 143767889

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1O)C(=O)N(C1Cc3ccccc3C1)C2=O
InChIInChI=1S/C18H15NO4/c1-23-14-7-6-13-15(16(14)20)18(22)19(17(13)21)12-8-10-4-2-3-5-11(10)9-12/h2-7,12,20H,8-9H2,1H3
InChIKeyYURQYVWQURHWMA-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.16
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione

2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione (PubChem CID 143767889) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
PubChem CID143767889
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
SMILESCOc1ccc2c(c1O)C(=O)N(C1Cc3ccccc3C1)C2=O
InChIInChI=1S/C18H15NO4/c1-23-14-7-6-13-15(16(14)20)18(22)19(17(13)21)12-8-10-4-2-3-5-11(10)9-12/h2-7,12,20H,8-9H2,1H3
InChIKeyYURQYVWQURHWMA-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one
CID 143767832
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
CID 54295752
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706
(12aS)-9-hydroxy-8-methoxy-12a,13-dihydro-11H-indolo[1,2-b][2]benzazepine-6,12-dione
CID 158535895
3-[(3R)-8-hydroxy-7-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoic acid
CID 146683008
6-hydroxy-5-methoxy-1,9-diazatetracyclo[10.7.0.03,8.014,19]nonadeca-3,5,7,14,16,18-hexaen-2-one
CID 163445536
(12aR)-8-methoxy-9-methyl-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-6-one
CID 158897089
3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 176893532
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
9-hydroxy-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 59440114
(12aR)-9-hydroxy-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 59440163

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione (CID 143767889) is 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione is COc1ccc2c(c1O)C(=O)N(C1Cc3ccccc3C1)C2=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione?
The InChIKey is YURQYVWQURHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-14-7-6-13-15(16(14)20)18(22)19(17(13)21)12-8-10-4-2-3-5-11(10)9-12/h2-7,12,20H,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione?
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione has a molecular weight of 309.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione is sourced from PubChem (CID 143767889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).