3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one

C15H13NO3 — CID 5297668

IUPAC3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)12-4-2-3-5-13(12)16-14(15)17/h2-9,18H,1H3,(H,16,17)
InChIKeyOEKNVAZTSIMVRD-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.88
Rot. Bonds2

About 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one

3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one (PubChem CID 5297668) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one
PubChem CID5297668
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)12-4-2-3-5-13(12)16-14(15)17/h2-9,18H,1H3,(H,16,17)
InChIKeyOEKNVAZTSIMVRD-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one (CID 5297668) is 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one is COc1ccc(C2(O)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The InChIKey is OEKNVAZTSIMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)12-4-2-3-5-13(12)16-14(15)17/h2-9,18H,1H3,(H,16,17).
What are the key properties of 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one?
3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one has a molecular weight of 255.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 5297668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).