3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

C21H21F2NO2 — CID 25060573

IUPAC3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(CC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H21F2NO2/c22-17-11-10-16-19(18(17)23)24-20(26)21(16,12-13-4-2-1-3-5-13)14-6-8-15(25)9-7-14/h6-11,13,25H,1-5,12H2,(H,24,26)
InChIKeyLUUXAIHMDYVVCH-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.88
Rot. Bonds3

About 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one

3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 25060573) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID25060573
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(CC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C21H21F2NO2/c22-17-11-10-16-19(18(17)23)24-20(26)21(16,12-13-4-2-1-3-5-13)14-6-8-15(25)9-7-14/h6-11,13,25H,1-5,12H2,(H,24,26)
InChIKeyLUUXAIHMDYVVCH-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 25060573) is 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(CC1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is LUUXAIHMDYVVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c22-17-11-10-16-19(18(17)23)24-20(26)21(16,12-13-4-2-1-3-5-13)14-6-8-15(25)9-7-14/h6-11,13,25H,1-5,12H2,(H,24,26).
What are the key properties of 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 357.40 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 25060573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).