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Chemical ID: 4515962
Chemical ID:
4515962
Name [?]:
[4-[1-methyl-1-[4-(3-phenylprop-2-enoyloxy)phenyl]-ethyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
CC(C)(c1ccc(cc1)OC(=O)C=Cc2ccccc2)c3ccc(cc3)OC(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C33H28O4/c1-33(2,27-15-19-29(20-16-27)36-31(34)23-13-25-9-5-3-6-10-25)28-17-21-30(22-18-28)37-32(35)24-14-26-11-7-4-8-12-26/h3-24H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,35,17,19,34,36,16,20,33,37,14,31,5,9,22,26,6,8,23,25,13,30,15,32,4,21,7,24,11,28,2,12,29,10,27/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(34,35)(36,37)/rA:37nCCCCCCCCCOCOCCCCCCCCCCCCCCOCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s24;s27;d28;s28;w30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H28O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5961 |
Area: | 742.558 |
Solvation: | -3.96784 |
Coulombic: | -43.7243 |
Bond Count [?]
All: | 40 |
Single: | 24 |
Double: | 16 |
Rotors: | 10 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 488.573 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 8.88 |
LogP (Chemaxon): | 8.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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