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

C20H19F2NO2 — CID 25060818

IUPAC3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C20H19F2NO2/c21-16-11-10-15-18(17(16)22)23-19(25)20(15,12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h6-12,24H,1-5H2,(H,23,25)
InChIKeyBGKNARSAMJTTCY-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.49
Rot. Bonds2

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

3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 25060818) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID25060818
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C20H19F2NO2/c21-16-11-10-15-18(17(16)22)23-19(25)20(15,12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h6-12,24H,1-5H2,(H,23,25)
InChIKeyBGKNARSAMJTTCY-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 25060818) is 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is BGKNARSAMJTTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c21-16-11-10-15-18(17(16)22)23-19(25)20(15,12-4-2-1-3-5-12)13-6-8-14(24)9-7-13/h6-12,24H,1-5H2,(H,23,25).
What are the key properties of 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 343.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 25060818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).