2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one

C26H19NO3 — CID 174916697

IUPAC2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one
SMILESO=C1c2c(-c3ccc(O)cc3)cccc2N(c2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C26H19NO3/c28-20-13-9-17(10-14-20)22-7-4-8-23-24(22)26(30)25(18-11-15-21(29)16-12-18)27(23)19-5-2-1-3-6-19/h1-16,25,28-29H
InChIKeyHAOXUWWFFKZYMO-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.84
Rot. Bonds3

About 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one

2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one (PubChem CID 174916697) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one.

Molecular Properties

Compound Name2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one
PubChem CID174916697
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one
SMILESO=C1c2c(-c3ccc(O)cc3)cccc2N(c2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C26H19NO3/c28-20-13-9-17(10-14-20)22-7-4-8-23-24(22)26(30)25(18-11-15-21(29)16-12-18)27(23)19-5-2-1-3-6-19/h1-16,25,28-29H
InChIKeyHAOXUWWFFKZYMO-UHFFFAOYSA-N
XLogP5.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one?
The IUPAC name of 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one (CID 174916697) is 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one.
What is the SMILES notation for 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one?
The canonical SMILES for 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one is O=C1c2c(-c3ccc(O)cc3)cccc2N(c2ccccc2)C1c1ccc(O)cc1.
What is the InChIKey of 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one?
The InChIKey is HAOXUWWFFKZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-20-13-9-17(10-14-20)22-7-4-8-23-24(22)26(30)25(18-11-15-21(29)16-12-18)27(23)19-5-2-1-3-6-19/h1-16,25,28-29H.
What are the key properties of 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one?
2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one has a molecular weight of 393.44 g/mol, XLogP of 5.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-hydroxyphenyl)-1-phenyl-2H-indol-3-one is sourced from PubChem (CID 174916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).