2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one

C15H14FNO3 — CID 5311531

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1ccc(-c2[nH]c3c(c2O)C(=O)CCC3)cc1F
InChIInChI=1S/C15H14FNO3/c1-20-12-6-5-8(7-9(12)16)14-15(19)13-10(17-14)3-2-4-11(13)18/h5-7,17,19H,2-4H2,1H3
InChIKeyLSWKNDFOKFPVFI-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one

2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one (PubChem CID 5311531) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one
PubChem CID5311531
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1ccc(-c2[nH]c3c(c2O)C(=O)CCC3)cc1F
InChIInChI=1S/C15H14FNO3/c1-20-12-6-5-8(7-9(12)16)14-15(19)13-10(17-14)3-2-4-11(13)18/h5-7,17,19H,2-4H2,1H3
InChIKeyLSWKNDFOKFPVFI-UHFFFAOYSA-N
XLogP3.05
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one (CID 5311531) is 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one is COc1ccc(-c2[nH]c3c(c2O)C(=O)CCC3)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is LSWKNDFOKFPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-12-6-5-8(7-9(12)16)14-15(19)13-10(17-14)3-2-4-11(13)18/h5-7,17,19H,2-4H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one?
2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 275.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 5311531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).