Chemical ID: 7039252

Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3ccc(cc3)C
Chemical ID:
7039252
Name [?]:
[2-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H20O3/c1-17-7-11-19(12-8-17)22(25)16-15-20-5-3-4-6-23(20)27-24(26)21-13-9-18(2)10-14-21/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,14,15,13,16,3,7,23,25,4,6,22,26,11,10,2,24,5,12,21,8,17,19,9,20,18/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOCCCCCCCCOCOCCCCCCC/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O3
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5963
Area:604.875
Solvation:-2.52555
Coulombic:-32.9716
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue