Chemical ID: 7048408

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
Chemical ID:
7048408
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FO4/c1-2-27-21-6-4-3-5-17(21)13-23-24(26)20-12-11-19(14-22(20)29-23)28-15-16-7-9-18(25)10-8-16/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,24,28,25,27,16,15,10,18,22,23,9,26,17,14,4,19,11,12,29,13,3,21,20/E:(7,8)(9,10)/rA:29nCCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.309
Area:624.278
Solvation:-5.29797
Coulombic:-38.2837
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:390.404
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.76
LogP (Chemaxon):5.08

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