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

C22H19NO3 — CID 2895148

IUPAC1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
SMILESCCN1C(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H19NO3/c1-2-23-20-6-4-3-5-19(20)22(21(23)26,15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h3-14,24-25H,2H2,1H3
InChIKeyTZPXYCYKOYZUNZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.80
Rot. Bonds3

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

1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one (PubChem CID 2895148) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one.

Molecular Properties

Compound Name1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
PubChem CID2895148
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
SMILESCCN1C(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H19NO3/c1-2-23-20-6-4-3-5-19(20)22(21(23)26,15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h3-14,24-25H,2H2,1H3
InChIKeyTZPXYCYKOYZUNZ-UHFFFAOYSA-N
XLogP3.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one?
The IUPAC name of 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one (CID 2895148) is 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one.
What is the SMILES notation for 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one?
The canonical SMILES for 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one is CCN1C(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one?
The InChIKey is TZPXYCYKOYZUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-23-20-6-4-3-5-19(20)22(21(23)26,15-7-11-17(24)12-8-15)16-9-13-18(25)14-10-16/h3-14,24-25H,2H2,1H3.
What are the key properties of 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one?
1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one has a molecular weight of 345.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one is sourced from PubChem (CID 2895148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).