Chemical ID: 5273493

COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
Chemical ID:
5273493
Name [?]:
6-[(4-fluorophenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C25H21FO6/c1-28-22-11-16(12-23(29-2)25(22)30-3)10-21-24(27)19-9-8-18(13-20(19)32-21)31-14-15-4-6-17(26)7-5-15/h4-13H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,27,31,28,30,19,18,13,4,6,21,25,26,5,29,20,17,22,14,3,7,15,8,32,16,2,11,9,24,23/E:(1,2)(4,5)(6,7)(11,12)(22,23)(28,29)/rA:32nCOCCCCCCOCOCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H21FO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.41908
Area:650.13
Solvation:-8.83418
Coulombic:-50.7902
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:436.429
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.76
LogP (Chemaxon):4.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue