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Chemical ID: 7039371
Chemical ID:
7039371
Name [?]:
[3-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 3-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C24H20O4/c1-17-9-12-19(13-10-17)23(25)14-11-18-5-3-8-22(15-18)28-24(26)20-6-4-7-21(16-20)27-2/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,14,23,13,22,24,15,3,7,11,4,6,10,17,26,2,12,5,21,25,16,8,19,9,20,27,18/E:(9,10)(12,13)/rA:28nCCCCCCCCOCCCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20O4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5435 |
Area: | 630.822 |
Solvation: | -4.22702 |
Coulombic: | -38.3616 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.7 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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