4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one

C12H15NO4 — CID 61361632

IUPAC4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCOc1ccc(OCC)c2c1NC(=O)C2O
InChIInChI=1S/C12H15NO4/c1-3-16-7-5-6-8(17-4-2)10-9(7)11(14)12(15)13-10/h5-6,11,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyYQYHDCNLBJZGMV-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.47
Rot. Bonds4

About 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one

4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61361632) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61361632
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCOc1ccc(OCC)c2c1NC(=O)C2O
InChIInChI=1S/C12H15NO4/c1-3-16-7-5-6-8(17-4-2)10-9(7)11(14)12(15)13-10/h5-6,11,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyYQYHDCNLBJZGMV-UHFFFAOYSA-N
XLogP1.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one (CID 61361632) is 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one is CCOc1ccc(OCC)c2c1NC(=O)C2O.
What is the InChIKey of 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is YQYHDCNLBJZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-16-7-5-6-8(17-4-2)10-9(7)11(14)12(15)13-10/h5-6,11,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one?
4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 237.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethoxy-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).