3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

C22H24FNO2 — CID 25063182

IUPAC3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1cc(F)cc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C22H24FNO2/c1-14-12-17(23)13-19-20(14)24-21(26)22(19,15-6-4-2-3-5-7-15)16-8-10-18(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26)
InChIKeyDTYGXOKXCOIKGD-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.05
Rot. Bonds2

About 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one

3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (PubChem CID 25063182) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
PubChem CID25063182
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
SMILESCc1cc(F)cc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C22H24FNO2/c1-14-12-17(23)13-19-20(14)24-21(26)22(19,15-6-4-2-3-5-7-15)16-8-10-18(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26)
InChIKeyDTYGXOKXCOIKGD-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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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The IUPAC name of 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one (CID 25063182) is 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is Cc1cc(F)cc2c1NC(=O)C2(c1ccc(O)cc1)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
The InChIKey is DTYGXOKXCOIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-14-12-17(23)13-19-20(14)24-21(26)22(19,15-6-4-2-3-5-7-15)16-8-10-18(25)11-9-16/h8-13,15,25H,2-7H2,1H3,(H,24,26).
What are the key properties of 3-cycloheptyl-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one?
3-cycloheptyl-5-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-5-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one is sourced from PubChem (CID 25063182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).