Chemical ID: 7039347

Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3
Chemical ID:
7039347
Name [?]:
[2-methoxy-4-[3-oxo-3-(p-tolyl)prop-1-enyl]-phenyl] benzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H20O4/c1-17-8-12-19(13-9-17)21(25)14-10-18-11-15-22(23(16-18)27-2)28-24(26)20-6-4-3-5-7-20/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,26,25,27,24,28,3,7,11,13,4,6,10,14,17,2,12,5,23,8,15,16,21,9,22,18,20/E:(4,5)(6,7)(8,9)(12,13)/rA:28nCCCCCCCCOCCCCCCCCOCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O4
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4449
Area:620.68
Solvation:-4.07209
Coulombic:-39.7001
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:5.43
LogP (Chemaxon):5.46

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