3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one

C22H19NO3 — CID 2895915

IUPAC3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2C
InChIInChI=1S/C22H19NO3/c1-14-3-12-20-19(13-14)22(21(26)23(20)2,15-4-8-17(24)9-5-15)16-6-10-18(25)11-7-16/h3-13,24-25H,1-2H3
InChIKeyDLEHJJPGKGNIMC-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.72
Rot. Bonds2

About 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one

3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one (PubChem CID 2895915) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one
PubChem CID2895915
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one
SMILESCc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2C
InChIInChI=1S/C22H19NO3/c1-14-3-12-20-19(13-14)22(21(26)23(20)2,15-4-8-17(24)9-5-15)16-6-10-18(25)11-7-16/h3-13,24-25H,1-2H3
InChIKeyDLEHJJPGKGNIMC-UHFFFAOYSA-N
XLogP3.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxyphenisatin
CID 31315
2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
CID 162076
3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one
CID 3860640
3-(4-Hydroxy-3,5-diisopropylbenzylidene)indolin-2-one
CID 10426229
6,7-difluoro-3-(4-hydroxyphenyl)-3-(4-methylphenyl)-1H-indol-2-one
CID 49782148
3,3-bis(4-hydroxy-3-methoxyphenyl)-1,5-dimethyl-1,3-dihydro-2H-indol-2-one
CID 2907402
1-Ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 2895148
1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
CID 41238
5-fluoro-3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
CID 11559077
3,3-bis(4-hydroxyphenyl)-5-methyl-1H-indol-2-one
CID 12218508
3,3-bis(4-hydroxyphenyl)-7-(trifluoromethyl)-1H-indol-2-one
CID 17748232
4-[2-[2-(4-Hydroxyphenyl)ethyl-propylamino]ethyl]-1,3-dihydroindol-2-one
CID 23322053

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one (CID 2895915) is 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one is Cc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2C.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one?
The InChIKey is DLEHJJPGKGNIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-14-3-12-20-19(13-14)22(21(26)23(20)2,15-4-8-17(24)9-5-15)16-6-10-18(25)11-7-16/h3-13,24-25H,1-2H3.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one?
3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one has a molecular weight of 345.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-1,5-dimethylindol-2-one is sourced from PubChem (CID 2895915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).