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

C17H13FO5 — CID 177477237

IUPAC6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(F)ccc3o2)cc(OC)c1O
InChIInChI=1S/C17H13FO5/c1-21-15-5-9(6-16(22-2)17(15)20)14-8-12(19)11-7-10(18)3-4-13(11)23-14/h3-8,20H,1-2H3
InChIKeyIBYJYXHDWRAQHD-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.32
Rot. Bonds3

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

6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one (PubChem CID 177477237) has the molecular formula C17H13FO5 and a molecular weight of 316.28 g/mol. Its IUPAC name is 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
PubChem CID177477237
Molecular FormulaC17H13FO5
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(F)ccc3o2)cc(OC)c1O
InChIInChI=1S/C17H13FO5/c1-21-15-5-9(6-16(22-2)17(15)20)14-8-12(19)11-7-10(18)3-4-13(11)23-14/h3-8,20H,1-2H3
InChIKeyIBYJYXHDWRAQHD-UHFFFAOYSA-N
XLogP3.32
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 66573995
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-6-yl] 2-methoxybenzoate
CID 2240944
[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
CID 140966920
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one (CID 177477237) is 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one is COc1cc(-c2cc(=O)c3cc(F)ccc3o2)cc(OC)c1O.
What is the InChIKey of 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
The InChIKey is IBYJYXHDWRAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO5/c1-21-15-5-9(6-16(22-2)17(15)20)14-8-12(19)11-7-10(18)3-4-13(11)23-14/h3-8,20H,1-2H3.
What are the key properties of 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one?
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one has a molecular weight of 316.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 177477237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).