Chemical ID: 7040149

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cc(c(c(c3)OC)OC)OC
Chemical ID:
7040149
Name [?]:
[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C26H24O7/c1-29-20-10-8-19(9-11-20)26(28)33-21-12-6-18(7-13-21)22(27)14-5-17-15-23(30-2)25(32-4)24(16-17)31-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,33,31,21,14,16,5,7,4,8,13,17,20,27,23,22,15,6,3,12,18,26,24,25,9,19,10,2,28,32,30,11/E:(2,3)(6,7)(8,9)(10,11)(12,13)(15,16)(23,24)(30,31)/rA:33nCOCCCCCCCOOCCCCCCCOCCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O7
All Atoms:57
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:8.85776
Area:714.501
Solvation:-9.00477
Coulombic:-57.8628
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:448.465
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.61
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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