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Chemical ID: 7039251
Chemical ID:
7039251
Name [?]:
[4-[3-(p-tolyl)prop-2-enoyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H20O3/c1-17-3-7-19(8-4-17)9-16-23(25)20-12-14-22(15-13-20)27-24(26)21-10-5-18(2)6-11-21/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,7,23,25,4,6,8,22,26,13,17,14,16,9,2,24,5,12,21,15,10,19,11,20,18/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:27nCCCCCCCCCCOCCCCCCOCOCCCCCCC/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O3 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5823 |
Area: | 615.992 |
Solvation: | -2.81751 |
Coulombic: | -32.0679 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.414 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.22 |
LogP (Chemaxon): | 6.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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