Chemical ID: 7048438

COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4c(c(c(c(c4F)F)F)F)F
Chemical ID:
7048438
Name [?]:
2-[(2,4-dimethoxyphenyl)methylene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4c(c(c(c(c4F)F)F)F)F
InChi [?]:
InChI=1/C24H15F5O5/c1-31-12-4-3-11(16(8-12)32-2)7-18-24(30)14-6-5-13(9-17(14)34-18)33-10-15-19(25)21(27)23(29)22(28)20(15)26/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,17,16,11,8,19,23,6,3,18,15,24,7,20,12,25,29,26,28,27,13,34,30,33,31,32,14,2,9,22,21/E:(19,20)(21,22)(25,26)(27,28)/rA:34nCOCCCCCCOCCCCOCCCCCCOOCCCCCCCFFFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;s24;d25;s26;d27;d24s28;s29;s28;s27;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15F5O5
All Atoms:49
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:6.50546
Area:657.223
Solvation:-9.92512
Coulombic:-53.0684
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:478.365
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.89
LogP (Chemaxon):5.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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