3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

C22H24FNO2 — CID 25061848

IUPAC3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C22H24FNO2/c1-14-19(23)13-12-18-20(14)24-21(26)22(18,15-6-4-2-3-5-7-15)16-8-10-17(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26)
InChIKeyFHEMJIITRFNOJI-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.05
Rot. Bonds2

About 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (PubChem CID 25061848) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
PubChem CID25061848
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C22H24FNO2/c1-14-19(23)13-12-18-20(14)24-21(26)22(18,15-6-4-2-3-5-7-15)16-8-10-17(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26)
InChIKeyFHEMJIITRFNOJI-UHFFFAOYSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
Necrocide 1
CID 46919880
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
(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
3-cyclopentyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1H-indol-2-one
CID 25062115
6,7-difluoro-3-(4-hydroxyphenyl)-3-(4-methylphenyl)-1H-indol-2-one
CID 49782148
1-Ethyl-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 2895148
6-chloro-3,3-bis(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 3830595
1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
CID 41238
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The IUPAC name of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (CID 25061848) is 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is Cc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The InChIKey is FHEMJIITRFNOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-14-19(23)13-12-18-20(14)24-21(26)22(18,15-6-4-2-3-5-7-15)16-8-10-17(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26).
What are the key properties of 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one has a molecular weight of 353.44 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is sourced from PubChem (CID 25061848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).