6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

C18H15FO6 — CID 66573995

IUPAC6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3ccc(F)cc3c(=O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H15FO6/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-8-10(19)4-5-12(11)25-17/h4-8,21H,1-3H3
InChIKeyZAUOVNJAOIUIRE-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.33
Rot. Bonds4

About 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 66573995) has the molecular formula C18H15FO6 and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID66573995
Molecular FormulaC18H15FO6
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3ccc(F)cc3c(=O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H15FO6/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-8-10(19)4-5-12(11)25-17/h4-8,21H,1-3H3
InChIKeyZAUOVNJAOIUIRE-UHFFFAOYSA-N
XLogP3.33
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CID 66573995) is 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(-c2oc3ccc(F)cc3c(=O)c2O)cc(OC)c1OC.
What is the InChIKey of 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is ZAUOVNJAOIUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO6/c1-22-13-6-9(7-14(23-2)18(13)24-3)17-16(21)15(20)11-8-10(19)4-5-12(11)25-17/h4-8,21H,1-3H3.
What are the key properties of 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 346.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 66573995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).