5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid

C23H15FO11 — CID 75235432

About 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid

5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid (PubChem CID 75235432) has the molecular formula C23H15FO11 and a molecular weight of 486.36 g/mol. Its IUPAC name is 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid
• PubChem CID: 75235432
• Molecular Formula: C23H15FO11
• Molecular Weight: 486.36 g/mol
• Exact Mass: 486.06
• IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid
• SMILES: O=C(O)c1cc(=O)c2c(OCC(O)COc3cc(F)cc4oc(C(=O)O)cc(=O)c34)cccc2o1
• InChI: InChI=1S/C23H15FO11/c24-10-4-16(21-13(27)7-19(23(30)31)35-17(21)5-10)33-9-11(25)8-32-14-2-1-3-15-20(14)12(26)6-18(34-15)22(28)29/h1-7,11,25H,8-9H2,(H,28,29)(H,30,31)
• InChIKey: LHBAOUCYPYZZIV-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 173.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.36
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid?

The IUPAC name of 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid (CID 75235432) is 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid.

What is the SMILES notation for 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid?

The canonical SMILES for 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid is O=C(O)c1cc(=O)c2c(OCC(O)COc3cc(F)cc4oc(C(=O)O)cc(=O)c34)cccc2o1.

What is the InChIKey of 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid?

The InChIKey is LHBAOUCYPYZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FO11/c24-10-4-16(21-13(27)7-19(23(30)31)35-17(21)5-10)33-9-11(25)8-32-14-2-1-3-15-20(14)12(26)6-18(34-15)22(28)29/h1-7,11,25H,8-9H2,(H,28,29)(H,30,31).

What are the key properties of 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid?

5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid has a molecular weight of 486.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 75235432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).