2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one

C18H17NO3 — CID 143767832

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one
SMILESCOc1c(O)ccc2c1C(=O)N(C1Cc3ccccc3C1)C2
InChIInChI=1S/C18H17NO3/c1-22-17-15(20)7-6-13-10-19(18(21)16(13)17)14-8-11-4-2-3-5-12(11)9-14/h2-7,14,20H,8-10H2,1H3
InChIKeyIWLRELOXAFMGRO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one

2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one (PubChem CID 143767832) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one
PubChem CID143767832
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one
SMILESCOc1c(O)ccc2c1C(=O)N(C1Cc3ccccc3C1)C2
InChIInChI=1S/C18H17NO3/c1-22-17-15(20)7-6-13-10-19(18(21)16(13)17)14-8-11-4-2-3-5-12(11)9-14/h2-7,14,20H,8-10H2,1H3
InChIKeyIWLRELOXAFMGRO-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-isoindol-1-one
CID 68967237
2-(2,3-dihydro-1H-inden-1-yl)-6,7-dimethoxy-3H-isoindol-1-one
CID 68963485
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-methoxyisoindole-1,3-dione
CID 143767889
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
(11S)-5-hydroxy-4-methoxy-14-methyl-15-thia-1-azatetracyclo[9.7.0.03,8.012,16]octadeca-3(8),4,6,12(16),13-pentaen-2-one
CID 130387349
2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
CID 24773797
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139
6,7-dihydroxy-2-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-3H-isoindol-1-one
CID 71032377
11-hydroxy-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606417
2,10-dihydroxy-3,9,11-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606418
(6aS)-5,6,6a,7,8,11-hexahydropyrrolo[1,2-b][2]benzazepin-9-one
CID 139043408

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one (CID 143767832) is 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one is COc1c(O)ccc2c1C(=O)N(C1Cc3ccccc3C1)C2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one?
The InChIKey is IWLRELOXAFMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-17-15(20)7-6-13-10-19(18(21)16(13)17)14-8-11-4-2-3-5-12(11)9-14/h2-7,14,20H,8-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one?
2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one has a molecular weight of 295.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-7-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 143767832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).