3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C18H17NO3 — CID 647072

IUPAC3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17NO3/c1-11-7-8-12(2)13(9-11)16(20)10-18(22)14-5-3-4-6-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyUEFGIGAEUWKEDU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.72
Rot. Bonds3

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

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 647072) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID647072
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17NO3/c1-11-7-8-12(2)13(9-11)16(20)10-18(22)14-5-3-4-6-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyUEFGIGAEUWKEDU-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 647072) is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is Cc1ccc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is UEFGIGAEUWKEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-7-8-12(2)13(9-11)16(20)10-18(22)14-5-3-4-6-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 647072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).