7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one

C23H14BrF3O3 — CID 3572340

IUPAC7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc(Br)cc3)ccc12
InChIInChI=1S/C23H14BrF3O3/c24-16-8-6-14(7-9-16)13-29-17-10-11-18-19(12-17)30-22(23(25,26)27)20(21(18)28)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyFDJQHRIYOVGDSC-UHFFFAOYSA-N
MW475.26 g/mol
LogP6.82
Rot. Bonds4

About 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one

7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one (PubChem CID 3572340) has the molecular formula C23H14BrF3O3 and a molecular weight of 475.26 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
PubChem CID3572340
Molecular FormulaC23H14BrF3O3
Molecular Weight475.26 g/mol
Exact Mass474.01
IUPAC Name7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc(Br)cc3)ccc12
InChIInChI=1S/C23H14BrF3O3/c24-16-8-6-14(7-9-16)13-29-17-10-11-18-19(12-17)30-22(23(25,26)27)20(21(18)28)15-4-2-1-3-5-15/h1-12H,13H2
InChIKeyFDJQHRIYOVGDSC-UHFFFAOYSA-N
XLogP6.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.26
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-(trifluoromethyl)chromen-4-one
CID 163123163
3-(2-bromophenoxy)-7-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)chromen-4-one
CID 95398752
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
4-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxybutanoic acid
CID 20989366
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloro-2-phenylacetate
CID 110274424
prop-2-enyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
CID 3396308
7-[2-hydroxy-2-(propan-2-ylamino)propoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 70448638
3-(2-bromophenoxy)-7-[(4-ethenylphenyl)methoxy]-2-(trifluoromethyl)chromen-4-one
CID 95398780
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] cyclopropanecarboxylate
CID 2036381
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-chloropropanoate
CID 110274725
[3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-chlorobenzoate
CID 95398549
2-[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(2-phenylethyl)acetamide
CID 2476232

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one (CID 3572340) is 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one is O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc(Br)cc3)ccc12.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one?
The InChIKey is FDJQHRIYOVGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrF3O3/c24-16-8-6-14(7-9-16)13-29-17-10-11-18-19(12-17)30-22(23(25,26)27)20(21(18)28)15-4-2-1-3-5-15/h1-12H,13H2.
What are the key properties of 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one?
7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one has a molecular weight of 475.26 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]-3-phenyl-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 3572340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).