7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one

C26H21F3O6 — CID 118707057

IUPAC7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2coc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2=O)cc1OC
InChIInChI=1S/C26H21F3O6/c1-31-21-12-24(33-3)23(32-2)11-19(21)20-14-35-22-10-17(8-9-18(22)25(20)30)34-13-15-4-6-16(7-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3
InChIKeyIPVGJWZDIXMOHW-UHFFFAOYSA-N
MW486.44 g/mol
LogP6.08
Rot. Bonds7

About 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one

7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one (PubChem CID 118707057) has the molecular formula C26H21F3O6 and a molecular weight of 486.44 g/mol. Its IUPAC name is 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
PubChem CID118707057
Molecular FormulaC26H21F3O6
Molecular Weight486.44 g/mol
Exact Mass486.13
IUPAC Name7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2coc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2=O)cc1OC
InChIInChI=1S/C26H21F3O6/c1-31-21-12-24(33-3)23(32-2)11-19(21)20-14-35-22-10-17(8-9-18(22)25(20)30)34-13-15-4-6-16(7-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3
InChIKeyIPVGJWZDIXMOHW-UHFFFAOYSA-N
XLogP6.08
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Rotenone
CID 6758
Tangeretin
CID 68077
Diosmetin
CID 5281612
Hesperetin
CID 72281
Glycitein
CID 5317750
Nobiletin
CID 72344
Tectorigenin
CID 5281811
Deguelin
CID 107935
Hispidulin
CID 5281628
Wogonin
CID 5281703
Tectoridin
CID 5281810
Oroxylin A
CID 5320315

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one (CID 118707057) is 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one is COc1cc(OC)c(-c2coc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2=O)cc1OC.
What is the InChIKey of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
The InChIKey is IPVGJWZDIXMOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3O6/c1-31-21-12-24(33-3)23(32-2)11-19(21)20-14-35-22-10-17(8-9-18(22)25(20)30)34-13-15-4-6-16(7-5-15)26(27,28)29/h4-12,14H,13H2,1-3H3.
What are the key properties of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one?
7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one has a molecular weight of 486.44 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3-(2,4,5-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 118707057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).