Chemical ID: 7039254

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3C
Chemical ID:
7039254
Name [?]:
[4-[3-(p-tolyl)prop-2-enoyl]phenyl] 2-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccccc3C
InChi [?]:
InChI=1/C24H20O3/c1-17-7-9-19(10-8-17)11-16-23(25)20-12-14-21(15-13-20)27-24(26)22-6-4-3-5-18(22)2/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,25,22,3,7,4,6,8,13,17,14,16,9,2,26,5,12,15,21,10,19,11,20,18/E:(7,8)(9,10)(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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O3
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4216
Area:606.183
Solvation:-2.73298
Coulombic:-32.2593
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

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