3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

C19H19NO5 — CID 2914833

IUPAC3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-11-4-7-15-14(8-11)19(23,18(22)20-15)10-16(21)13-6-5-12(24-2)9-17(13)25-3/h4-9,23H,10H2,1-3H3,(H,20,22)
InChIKeyMEDPCDVZSJRZIK-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.42
Rot. Bonds5

About 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (PubChem CID 2914833) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
PubChem CID2914833
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-11-4-7-15-14(8-11)19(23,18(22)20-15)10-16(21)13-6-5-12(24-2)9-17(13)25-3/h4-9,23H,10H2,1-3H3,(H,20,22)
InChIKeyMEDPCDVZSJRZIK-UHFFFAOYSA-N
XLogP2.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (CID 2914833) is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The InChIKey is MEDPCDVZSJRZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-4-7-15-14(8-11)19(23,18(22)20-15)10-16(21)13-6-5-12(24-2)9-17(13)25-3/h4-9,23H,10H2,1-3H3,(H,20,22).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one has a molecular weight of 341.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is sourced from PubChem (CID 2914833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).