2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one

C26H30FNO4 — CID 14983030

IUPAC2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C26H30FNO4/c27-20-7-5-6-19(16-20)26-18-24(30)23-17-22(8-9-25(23)32-26)31-15-4-2-1-3-12-28-13-10-21(29)11-14-28/h5-9,16-18,21,29H,1-4,10-15H2
InChIKeyXPPJXWWWTLEKQE-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.99
Rot. Bonds9

About 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one

2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one (PubChem CID 14983030) has the molecular formula C26H30FNO4 and a molecular weight of 439.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one
PubChem CID14983030
Molecular FormulaC26H30FNO4
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC Name2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12
InChIInChI=1S/C26H30FNO4/c27-20-7-5-6-19(16-20)26-18-24(30)23-17-22(8-9-25(23)32-26)31-15-4-2-1-3-12-28-13-10-21(29)11-14-28/h5-9,16-18,21,29H,1-4,10-15H2
InChIKeyXPPJXWWWTLEKQE-UHFFFAOYSA-N
XLogP4.99
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one (CID 14983030) is 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one is O=c1cc(-c2cccc(F)c2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12.
What is the InChIKey of 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one?
The InChIKey is XPPJXWWWTLEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO4/c27-20-7-5-6-19(16-20)26-18-24(30)23-17-22(8-9-25(23)32-26)31-15-4-2-1-3-12-28-13-10-21(29)11-14-28/h5-9,16-18,21,29H,1-4,10-15H2.
What are the key properties of 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one?
2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one has a molecular weight of 439.53 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]chromen-4-one is sourced from PubChem (CID 14983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).