7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

C16H10F2O5 — CID 25061265

IUPAC7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OC(F)F)cc(O)c12
InChIInChI=1S/C16H10F2O5/c17-16(18)23-10-5-12(20)14-13(6-10)22-7-11(15(14)21)8-1-3-9(19)4-2-8/h1-7,16,19-20H
InChIKeyXCFDFMSJNAXIGP-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.47
Rot. Bonds3

About 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one

7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 25061265) has the molecular formula C16H10F2O5 and a molecular weight of 320.25 g/mol. Its IUPAC name is 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID25061265
Molecular FormulaC16H10F2O5
Molecular Weight320.25 g/mol
Exact Mass320.05
IUPAC Name7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OC(F)F)cc(O)c12
InChIInChI=1S/C16H10F2O5/c17-16(18)23-10-5-12(20)14-13(6-10)22-7-11(15(14)21)8-1-3-9(19)4-2-8/h1-7,16,19-20H
InChIKeyXCFDFMSJNAXIGP-UHFFFAOYSA-N
XLogP3.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 54322153
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 54675067
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 51521847
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
CID 15940724
5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 141346577
(5-hydroxy-4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
CID 12017762

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one (CID 25061265) is 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is O=c1c(-c2ccc(O)cc2)coc2cc(OC(F)F)cc(O)c12.
What is the InChIKey of 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is XCFDFMSJNAXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O5/c17-16(18)23-10-5-12(20)14-13(6-10)22-7-11(15(14)21)8-1-3-9(19)4-2-8/h1-7,16,19-20H.
What are the key properties of 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one?
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 320.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 25061265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).