Chemical ID: 4573401

COc1cc(c(cc1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4
Chemical ID:
4573401
Name [?]:
6-benzyloxy-2-[(2,4,5-trimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1cc(c(cc1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4
InChi [?]:
InChI=1/C25H22O6/c1-27-20-14-23(29-3)22(28-2)11-17(20)12-24-25(26)19-10-9-18(13-21(19)31-24)30-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,1,10,29,28,30,27,31,19,18,4,13,21,7,25,26,5,20,17,6,22,3,8,14,15,16,11,2,9,24,23/E:(5,6)(7,8)/rA:31nCOCCCCCCOCOCCCCOCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.05274
Area:642.549
Solvation:-8.01099
Coulombic:-46.7218
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:418.439
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.1

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Descriptor Annotations

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