Chemical ID: 7039211

Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3ccccc3
Chemical ID:
7039211
Name [?]:
[2-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] benzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H18O3/c1-17-11-13-18(14-12-17)21(24)16-15-19-7-5-6-10-22(19)26-23(25)20-8-3-2-4-9-20/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,14,15,13,22,26,16,3,7,4,6,11,10,2,5,12,21,8,17,19,9,20,18/E:(3,4)(8,9)(11,12)(13,14)/rA:26nCCCCCCCCOCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;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:12.0311
Area:582.22
Solvation:-2.52439
Coulombic:-33.2229
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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Descriptor Annotations

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