2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one

C22H14F2O3 — CID 118987393

IUPAC2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(OCc3cccc(F)c3F)c2)oc2ccccc12
InChIInChI=1S/C22H14F2O3/c23-18-9-4-6-15(22(18)24)13-26-16-7-3-5-14(11-16)21-12-19(25)17-8-1-2-10-20(17)27-21/h1-12H,13H2
InChIKeyMSFFBKIIQUFELX-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.32
Rot. Bonds4

About 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one

2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one (PubChem CID 118987393) has the molecular formula C22H14F2O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one
PubChem CID118987393
Molecular FormulaC22H14F2O3
Molecular Weight364.35 g/mol
Exact Mass364.09
IUPAC Name2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(OCc3cccc(F)c3F)c2)oc2ccccc12
InChIInChI=1S/C22H14F2O3/c23-18-9-4-6-15(22(18)24)13-26-16-7-3-5-14(11-16)21-12-19(25)17-8-1-2-10-20(17)27-21/h1-12H,13H2
InChIKeyMSFFBKIIQUFELX-UHFFFAOYSA-N
XLogP5.32
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one (CID 118987393) is 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one is O=c1cc(-c2cccc(OCc3cccc(F)c3F)c2)oc2ccccc12.
What is the InChIKey of 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one?
The InChIKey is MSFFBKIIQUFELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2O3/c23-18-9-4-6-15(22(18)24)13-26-16-7-3-5-14(11-16)21-12-19(25)17-8-1-2-10-20(17)27-21/h1-12H,13H2.
What are the key properties of 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one?
2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one has a molecular weight of 364.35 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,3-difluorophenyl)methoxy]phenyl]chromen-4-one is sourced from PubChem (CID 118987393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).