5,7-bis(difluoromethoxy)-2-phenylchromen-4-one

C17H10F4O4 — CID 86038552

IUPAC5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OC(F)F)cc(OC(F)F)c12
InChIInChI=1S/C17H10F4O4/c18-16(19)23-10-6-13-15(14(7-10)25-17(20)21)11(22)8-12(24-13)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyDAVVPQBJLCQNLB-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.66
Rot. Bonds5

About 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one

5,7-bis(difluoromethoxy)-2-phenylchromen-4-one (PubChem CID 86038552) has the molecular formula C17H10F4O4 and a molecular weight of 354.26 g/mol. Its IUPAC name is 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
PubChem CID86038552
Molecular FormulaC17H10F4O4
Molecular Weight354.26 g/mol
Exact Mass354.05
IUPAC Name5,7-bis(difluoromethoxy)-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OC(F)F)cc(OC(F)F)c12
InChIInChI=1S/C17H10F4O4/c18-16(19)23-10-6-13-15(14(7-10)25-17(20)21)11(22)8-12(24-13)9-4-2-1-3-5-9/h1-8,16-17H
InChIKeyDAVVPQBJLCQNLB-UHFFFAOYSA-N
XLogP4.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-oxo-2-phenyl-7-(trifluoromethylsulfonyloxy)chromen-5-yl] acetate
CID 10502628
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
(2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 6920592
5-(3-chloropropoxy)-2-phenylchromen-4-one
CID 14982930
2,5-diphenylchromen-4-one
CID 71424268
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
CID 11068297
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
(5-methyl-4-oxo-2-phenylchromen-7-yl) trifluoromethanesulfonate
CID 23401531
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
copper;2-phenylchromen-4-one
CID 175169427

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one?
The IUPAC name of 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one (CID 86038552) is 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OC(F)F)cc(OC(F)F)c12.
What is the InChIKey of 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one?
The InChIKey is DAVVPQBJLCQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4O4/c18-16(19)23-10-6-13-15(14(7-10)25-17(20)21)11(22)8-12(24-13)9-4-2-1-3-5-9/h1-8,16-17H.
What are the key properties of 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one?
5,7-bis(difluoromethoxy)-2-phenylchromen-4-one has a molecular weight of 354.26 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethoxy)-2-phenylchromen-4-one is sourced from PubChem (CID 86038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).