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

C22H18FNO3 — CID 14616665

IUPAC5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3O)C(=O)Nc3ccc(F)cc32)c(O)c1
InChIInChI=1S/C22H18FNO3/c1-12-3-6-15(19(25)9-12)22(16-7-4-13(2)10-20(16)26)17-11-14(23)5-8-18(17)24-21(22)27/h3-11,25-26H,1-2H3,(H,24,27)
InChIKeyTXUILVWJPIXQJV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.14
Rot. Bonds2

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

5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one (PubChem CID 14616665) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
PubChem CID14616665
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(c3ccc(C)cc3O)C(=O)Nc3ccc(F)cc32)c(O)c1
InChIInChI=1S/C22H18FNO3/c1-12-3-6-15(19(25)9-12)22(16-7-4-13(2)10-20(16)26)17-11-14(23)5-8-18(17)24-21(22)27/h3-11,25-26H,1-2H3,(H,24,27)
InChIKeyTXUILVWJPIXQJV-UHFFFAOYSA-N
XLogP4.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
CID 14616692
3-(2-hydroxy-4-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-indol-2-one
CID 165341869
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
CID 14616674
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
3,5-difluoro-3-(trifluoromethyl)-1H-indol-2-one
CID 166482233
5'-acetyl-2'-amino-5-fluoro-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile
CID 146162970
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one?
The IUPAC name of 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one (CID 14616665) is 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one is Cc1ccc(C2(c3ccc(C)cc3O)C(=O)Nc3ccc(F)cc32)c(O)c1.
What is the InChIKey of 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one?
The InChIKey is TXUILVWJPIXQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-12-3-6-15(19(25)9-12)22(16-7-4-13(2)10-20(16)26)17-11-14(23)5-8-18(17)24-21(22)27/h3-11,25-26H,1-2H3,(H,24,27).
What are the key properties of 5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one?
5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one has a molecular weight of 363.39 g/mol, XLogP of 4.14, 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(2-hydroxy-4-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 14616665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).