2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one

C24H14F6O3 — CID 118987389

IUPAC2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)oc2ccccc12
InChIInChI=1S/C24H14F6O3/c25-23(26,27)16-8-9-19(24(28,29)30)15(10-16)13-32-17-5-3-4-14(11-17)22-12-20(31)18-6-1-2-7-21(18)33-22/h1-12H,13H2
InChIKeyKYIGTIYYTIGLJV-UHFFFAOYSA-N
MW464.36 g/mol
LogP7.08
Rot. Bonds4

About 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one

2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one (PubChem CID 118987389) has the molecular formula C24H14F6O3 and a molecular weight of 464.36 g/mol. Its IUPAC name is 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
PubChem CID118987389
Molecular FormulaC24H14F6O3
Molecular Weight464.36 g/mol
Exact Mass464.08
IUPAC Name2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)oc2ccccc12
InChIInChI=1S/C24H14F6O3/c25-23(26,27)16-8-9-19(24(28,29)30)15(10-16)13-32-17-5-3-4-14(11-17)22-12-20(31)18-6-1-2-7-21(18)33-22/h1-12H,13H2
InChIKeyKYIGTIYYTIGLJV-UHFFFAOYSA-N
XLogP7.08
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
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CID 146557451
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
7-(3-bromopropoxy)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
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2-(3-thiophen-2-ylphenyl)chromen-4-one
CID 91111580
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
CID 159796273
CID 159796273
2-(4-nitrophenyl)chromen-4-one
CID 622510
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one (CID 118987389) is 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one is O=c1cc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)oc2ccccc12.
What is the InChIKey of 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one?
The InChIKey is KYIGTIYYTIGLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6O3/c25-23(26,27)16-8-9-19(24(28,29)30)15(10-16)13-32-17-5-3-4-14(11-17)22-12-20(31)18-6-1-2-7-21(18)33-22/h1-12H,13H2.
What are the key properties of 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one?
2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one has a molecular weight of 464.36 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one is sourced from PubChem (CID 118987389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).