6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one

C18H14FNO3 — CID 175039015

IUPAC6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
SMILESO=C1c2ccccc2CCC1C1(O)C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H14FNO3/c19-11-6-8-13-15(9-11)20-17(22)18(13,23)14-7-5-10-3-1-2-4-12(10)16(14)21/h1-4,6,8-9,14,23H,5,7H2,(H,20,22)
InChIKeyLRAPUOWFFWHWOY-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.41
Rot. Bonds1

About 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one

6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one (PubChem CID 175039015) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
PubChem CID175039015
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
SMILESO=C1c2ccccc2CCC1C1(O)C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H14FNO3/c19-11-6-8-13-15(9-11)20-17(22)18(13,23)14-7-5-10-3-1-2-4-12(10)16(14)21/h1-4,6,8-9,14,23H,5,7H2,(H,20,22)
InChIKeyLRAPUOWFFWHWOY-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The IUPAC name of 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one (CID 175039015) is 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one.
What is the SMILES notation for 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The canonical SMILES for 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one is O=C1c2ccccc2CCC1C1(O)C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
The InChIKey is LRAPUOWFFWHWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-11-6-8-13-15(9-11)20-17(22)18(13,23)14-7-5-10-3-1-2-4-12(10)16(14)21/h1-4,6,8-9,14,23H,5,7H2,(H,20,22).
What are the key properties of 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one?
6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one has a molecular weight of 311.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-3-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one is sourced from PubChem (CID 175039015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).