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Chemical ID: 7039210
Chemical ID:
7039210
Name [?]:
[4-[3-(p-tolyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O3/c1-17-7-9-18(10-8-17)11-16-22(24)19-12-14-21(15-13-19)26-23(25)20-5-3-2-4-6-20/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,22,26,3,7,4,6,8,13,17,14,16,9,2,5,12,21,15,10,19,11,20,18/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:26nCCCCCCCCCCOCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9985 |
Area: | 592.496 |
Solvation: | -2.81385 |
Coulombic: | -32.3163 |
Bond Count [?]
All: | 28 |
Single: | 16 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.79 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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