Chemical ID: 7486577

Cc1ccc(c(c1)C(C)(C)C)OC(=O)C=Cc2ccc(cc2)OC
Chemical ID:
7486577
Name [?]:
(4-methyl-2-tert-butyl-phenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
Cc1ccc(c(c1)C(C)(C)C)OC(=O)C=Cc2ccc(cc2)OC
InChi [?]:
InChI=1/C21H24O3/c1-15-6-12-19(18(14-15)21(2,3)4)24-20(22)13-9-16-7-10-17(23-5)11-8-16/h6-14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,9,10,11,24,3,18,22,16,19,21,4,15,7,2,17,20,6,5,13,8,14,23,12/E:(2,3,4)(7,8)(10,11)/rA:24nCCCCCCCCCCCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24O3
All Atoms:48
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6074
Area:547.236
Solvation:-3.0735
Coulombic:-29.3262
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:324.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.75
LogP (Chemaxon):5.71

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