3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one

C25H25NO3 — CID 73352515

IUPAC3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H25NO3/c1-24(2,3)17-11-14-22(27)20(15-17)25(16-9-12-18(29-4)13-10-16)19-7-5-6-8-21(19)26-23(25)28/h5-15,27H,1-4H3,(H,26,28)
InChIKeyWIERJMIZOIZULH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.98
Rot. Bonds3

About 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one

3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one (PubChem CID 73352515) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one
PubChem CID73352515
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H25NO3/c1-24(2,3)17-11-14-22(27)20(15-17)25(16-9-12-18(29-4)13-10-16)19-7-5-6-8-21(19)26-23(25)28/h5-15,27H,1-4H3,(H,26,28)
InChIKeyWIERJMIZOIZULH-UHFFFAOYSA-N
XLogP4.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one (CID 73352515) is 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one is COc1ccc(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
The InChIKey is WIERJMIZOIZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-24(2,3)17-11-14-22(27)20(15-17)25(16-9-12-18(29-4)13-10-16)19-7-5-6-8-21(19)26-23(25)28/h5-15,27H,1-4H3,(H,26,28).
What are the key properties of 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one?
3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 73352515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).