3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one

C19H20FNO3 — CID 12004304

IUPAC3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one
SMILESCCCCCN1C(=O)C(O)(c2cc(F)ccc2O)c2ccccc21
InChIInChI=1S/C19H20FNO3/c1-2-3-6-11-21-16-8-5-4-7-14(16)19(24,18(21)23)15-12-13(20)9-10-17(15)22/h4-5,7-10,12,22,24H,2-3,6,11H2,1H3
InChIKeyPKJKSTBQOMULGG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.30
Rot. Bonds5

About 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one

3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one (PubChem CID 12004304) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one
PubChem CID12004304
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one
SMILESCCCCCN1C(=O)C(O)(c2cc(F)ccc2O)c2ccccc21
InChIInChI=1S/C19H20FNO3/c1-2-3-6-11-21-16-8-5-4-7-14(16)19(24,18(21)23)15-12-13(20)9-10-17(15)22/h4-5,7-10,12,22,24H,2-3,6,11H2,1H3
InChIKeyPKJKSTBQOMULGG-UHFFFAOYSA-N
XLogP3.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one?
The IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one (CID 12004304) is 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one.
What is the SMILES notation for 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one?
The canonical SMILES for 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one is CCCCCN1C(=O)C(O)(c2cc(F)ccc2O)c2ccccc21.
What is the InChIKey of 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one?
The InChIKey is PKJKSTBQOMULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-3-6-11-21-16-8-5-4-7-14(16)19(24,18(21)23)15-12-13(20)9-10-17(15)22/h4-5,7-10,12,22,24H,2-3,6,11H2,1H3.
What are the key properties of 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one?
3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one has a molecular weight of 329.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-1-pentylindol-2-one is sourced from PubChem (CID 12004304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).