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

C21H21F2NO2 — CID 25022554

IUPAC3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C21H21F2NO2/c22-17-12-11-16-19(18(17)23)24-20(26)21(16,13-5-3-1-2-4-6-13)14-7-9-15(25)10-8-14/h7-13,25H,1-6H2,(H,24,26)
InChIKeyPOBBMGVRPWQXGA-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.88
Rot. Bonds2

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

3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (PubChem CID 25022554) has the molecular formula C21H21F2NO2 and a molecular weight of 357.40 g/mol. Its IUPAC name is 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
PubChem CID25022554
Molecular FormulaC21H21F2NO2
Molecular Weight357.40 g/mol
Exact Mass357.15
IUPAC Name3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCCC1
InChIInChI=1S/C21H21F2NO2/c22-17-12-11-16-19(18(17)23)24-20(26)21(16,13-5-3-1-2-4-6-13)14-7-9-15(25)10-8-14/h7-13,25H,1-6H2,(H,24,26)
InChIKeyPOBBMGVRPWQXGA-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one (CID 25022554) is 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is POBBMGVRPWQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO2/c22-17-12-11-16-19(18(17)23)24-20(26)21(16,13-5-3-1-2-4-6-13)14-7-9-15(25)10-8-14/h7-13,25H,1-6H2,(H,24,26).
What are the key properties of 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one?
3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 357.40 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 25022554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).