Chemical ID: 5369610

COc1cc(cc(c1OC)OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
Chemical ID:
5369610
Name [?]:
(4-benzyloxyphenyl) 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C25H24O6/c1-27-22-15-19(16-23(28-2)25(22)29-3)9-14-24(26)31-21-12-10-20(11-13-21)30-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,29,28,30,27,31,13,20,22,19,23,14,4,6,25,26,5,21,18,3,7,15,8,16,2,11,9,24,17/E:(1,2)(5,6)(7,8)(10,11)(12,13)(15,16)(22,23)(27,28)/rA:31nCOCCCCCCOCOCCCCOOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:7.94306
Area:641.468
Solvation:-8.09365
Coulombic:-50.0069
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:420.454
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.76
LogP (Chemaxon):4.63

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Descriptor Annotations

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