3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one

C20H15NO3S — CID 57254489

IUPAC3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(OS)cc1
InChIInChI=1S/C20H15NO3S/c22-15-9-5-13(6-10-15)20(14-7-11-16(24-25)12-8-14)17-3-1-2-4-18(17)21-19(20)23/h1-12,22,25H,(H,21,23)
InChIKeyCNEYRHMLKNERJQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.90
Rot. Bonds3

About 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one

3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one (PubChem CID 57254489) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
PubChem CID57254489
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(OS)cc1
InChIInChI=1S/C20H15NO3S/c22-15-9-5-13(6-10-15)20(14-7-11-16(24-25)12-8-14)17-3-1-2-4-18(17)21-19(20)23/h1-12,22,25H,(H,21,23)
InChIKeyCNEYRHMLKNERJQ-UHFFFAOYSA-N
XLogP3.90
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one (CID 57254489) is 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one is O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(OS)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one?
The InChIKey is CNEYRHMLKNERJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-15-9-5-13(6-10-15)20(14-7-11-16(24-25)12-8-14)17-3-1-2-4-18(17)21-19(20)23/h1-12,22,25H,(H,21,23).
What are the key properties of 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one?
3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one has a molecular weight of 349.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-(4-sulfanyloxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 57254489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).