3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one

C20H21NO6 — CID 2972311

IUPAC3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
SMILESCOc1cc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO6/c1-21-14-8-6-5-7-13(14)20(24,19(21)23)11-15(22)12-9-16(25-2)18(27-4)17(10-12)26-3/h5-10,24H,11H2,1-4H3
InChIKeyPKCUZDFFODDSKB-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.15
Rot. Bonds6

About 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one

3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one (PubChem CID 2972311) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
PubChem CID2972311
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
SMILESCOc1cc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO6/c1-21-14-8-6-5-7-13(14)20(24,19(21)23)11-15(22)12-9-16(25-2)18(27-4)17(10-12)26-3/h5-10,24H,11H2,1-4H3
InChIKeyPKCUZDFFODDSKB-UHFFFAOYSA-N
XLogP2.15
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one (CID 2972311) is 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one is COc1cc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The InChIKey is PKCUZDFFODDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-21-14-8-6-5-7-13(14)20(24,19(21)23)11-15(22)12-9-16(25-2)18(27-4)17(10-12)26-3/h5-10,24H,11H2,1-4H3.
What are the key properties of 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one has a molecular weight of 371.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one is sourced from PubChem (CID 2972311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).