Chemical ID: 7047955

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
Chemical ID:
7047955
Name [?]:
[2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-methoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C25H20O6/c1-3-29-18-9-7-16(8-10-18)13-23-24(26)21-12-11-20(15-22(21)31-23)30-25(27)17-5-4-6-19(14-17)28-2/h4-15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,26,25,27,6,8,5,9,16,15,10,29,18,7,24,4,28,17,14,19,11,12,22,13,23,30,3,21,20/E:(7,8)(9,10)/rA:31nCCOCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20O6
All Atoms:51
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.3798
Area:665.898
Solvation:-5.26769
Coulombic:-52.7304
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:416.423
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.39
LogP (Chemaxon):4.4

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Descriptor Annotations

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