Chemical ID: 7039210

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3
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

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