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

C20H14FNO3 — CID 11559077

IUPAC5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H14FNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25)
InChIKeyIJIHPPHCPHSQDI-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.52
Rot. Bonds2

About 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 11559077) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID11559077
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H14FNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25)
InChIKeyIJIHPPHCPHSQDI-UHFFFAOYSA-N
XLogP3.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one (CID 11559077) is 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is IJIHPPHCPHSQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c21-14-5-10-18-17(11-14)20(19(25)22-18,12-1-6-15(23)7-2-12)13-3-8-16(24)9-4-13/h1-11,23-24H,(H,22,25).
What are the key properties of 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one?
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 335.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 11559077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).