3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one

C18H15NO4 — CID 652232

IUPAC3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)CC(C1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21)
InChIKeyKPDIELDEQWIYKQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.89
Rot. Bonds2

About 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one

3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one (PubChem CID 652232) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one
PubChem CID652232
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one
SMILESCOc1ccc2c(c1)CC(C1(O)C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21)
InChIKeyKPDIELDEQWIYKQ-UHFFFAOYSA-N
XLogP1.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3Hoi-BA-01
CID 5902454
3-hydroxy-3-(3-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297648
3-[4-(1,3-benzodioxol-5-yl)-2-oxo-3-butenyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5733994
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2940121
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-5-methyl-1,3-dihydro-2H-indol-2-one
CID 2950464
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-6,7-dimethyl-1,3-dihydro-2H-indol-2-one
CID 2960921
3-hydroxy-3-(5-methoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2863500
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2909007
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2918172
3-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 17590860
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2914937
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 326412

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one (CID 652232) is 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one is COc1ccc2c(c1)CC(C1(O)C(=O)Nc3ccccc31)C2=O.
What is the InChIKey of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one?
The InChIKey is KPDIELDEQWIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-11-6-7-12-10(8-11)9-14(16(12)20)18(22)13-4-2-3-5-15(13)19-17(18)21/h2-8,14,22H,9H2,1H3,(H,19,21).
What are the key properties of 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one?
3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one has a molecular weight of 309.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one is sourced from PubChem (CID 652232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).