Chemical ID: 5756599

Cc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccc(cc3)C
Chemical ID:
5756599
Name [?]:
[4-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H20O3/c1-17-3-10-20(11-4-17)23(25)16-9-19-7-14-22(15-8-19)27-24(26)21-12-5-18(2)6-13-21/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,3,7,23,25,13,17,11,4,6,22,26,14,16,10,2,24,12,5,21,15,8,19,9,20,18/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:27nCCCCCCCCOCCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0655
Area:598.208
Solvation:-2.88974
Coulombic:-31.7934
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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Descriptor Annotations

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