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

C18H17NO5 — CID 4672178

IUPAC3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(OC)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17NO5/c1-23-11-7-8-16(24-2)12(9-11)15(20)10-18(22)13-5-3-4-6-14(13)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyJORQBDKMPOCEDL-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.12
Rot. Bonds5

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

3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 4672178) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID4672178
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCOc1ccc(OC)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C18H17NO5/c1-23-11-7-8-16(24-2)12(9-11)15(20)10-18(22)13-5-3-4-6-14(13)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyJORQBDKMPOCEDL-UHFFFAOYSA-N
XLogP2.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 4672178) is 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is COc1ccc(OC)c(C(=O)CC2(O)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is JORQBDKMPOCEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-11-7-8-16(24-2)12(9-11)15(20)10-18(22)13-5-3-4-6-14(13)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 327.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 4672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).