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

C24H15F2NO2 — CID 25061581

IUPAC6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15F2NO2/c25-20-12-11-19-22(21(20)26)27-23(29)24(19,16-7-9-18(28)10-8-16)17-6-5-14-3-1-2-4-15(14)13-17/h1-13,28H,(H,27,29)
InChIKeyQBBGMKQMTUECTM-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.11
Rot. Bonds2

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

6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one (PubChem CID 25061581) has the molecular formula C24H15F2NO2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one
PubChem CID25061581
Molecular FormulaC24H15F2NO2
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one
SMILESO=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15F2NO2/c25-20-12-11-19-22(21(20)26)27-23(29)24(19,16-7-9-18(28)10-8-16)17-6-5-14-3-1-2-4-15(14)13-17/h1-13,28H,(H,27,29)
InChIKeyQBBGMKQMTUECTM-UHFFFAOYSA-N
XLogP5.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one?
The IUPAC name of 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one (CID 25061581) is 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one.
What is the SMILES notation for 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one?
The canonical SMILES for 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one is O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one?
The InChIKey is QBBGMKQMTUECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2NO2/c25-20-12-11-19-22(21(20)26)27-23(29)24(19,16-7-9-18(28)10-8-16)17-6-5-14-3-1-2-4-15(14)13-17/h1-13,28H,(H,27,29).
What are the key properties of 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one?
6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one has a molecular weight of 387.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(4-hydroxyphenyl)-3-naphthalen-2-yl-1H-indol-2-one is sourced from PubChem (CID 25061581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).