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

C21H22FNO2 — CID 25061846

IUPAC3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C21H22FNO2/c1-13-18(22)12-11-17-19(13)23-20(25)21(17,14-5-3-2-4-6-14)15-7-9-16(24)10-8-15/h7-12,14,24H,2-6H2,1H3,(H,23,25)
InChIKeyKHMWIIQIRTXLKT-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.66
Rot. Bonds2

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

3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (PubChem CID 25061846) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
PubChem CID25061846
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C21H22FNO2/c1-13-18(22)12-11-17-19(13)23-20(25)21(17,14-5-3-2-4-6-14)15-7-9-16(24)10-8-15/h7-12,14,24H,2-6H2,1H3,(H,23,25)
InChIKeyKHMWIIQIRTXLKT-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-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 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The IUPAC name of 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (CID 25061846) is 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is Cc1c(F)ccc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The InChIKey is KHMWIIQIRTXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-13-18(22)12-11-17-19(13)23-20(25)21(17,14-5-3-2-4-6-14)15-7-9-16(24)10-8-15/h7-12,14,24H,2-6H2,1H3,(H,23,25).
What are the key properties of 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one has a molecular weight of 339.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is sourced from PubChem (CID 25061846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).