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

C18H17NO4 — CID 2914710

IUPAC3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H17NO4/c1-11-3-8-15-14(9-11)18(22,17(21)19-15)10-16(20)12-4-6-13(23-2)7-5-12/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyMVFPJZCZGPBDII-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.42
Rot. Bonds4

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

3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one (PubChem CID 2914710) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
PubChem CID2914710
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H17NO4/c1-11-3-8-15-14(9-11)18(22,17(21)19-15)10-16(20)12-4-6-13(23-2)7-5-12/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyMVFPJZCZGPBDII-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one (CID 2914710) is 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one is COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(C)cc32)cc1.
What is the InChIKey of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
The InChIKey is MVFPJZCZGPBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-11-3-8-15-14(9-11)18(22,17(21)19-15)10-16(20)12-4-6-13(23-2)7-5-12/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one?
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 2914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).