Chemical ID: 4282572

CC(=CCc1c(c2c(=O)c(coc2c3c1OC(C=C3)(C)C)c4ccc(cc4)O)O)C
Chemical ID:
4282572
Name [?]:
None
SMILES [?]:
CC(=CCc1c(c2c(=O)c(coc2c3c1OC(C=C3)(C)C)c4ccc(cc4)O)O)C
InChi [?]:
InChI=1/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,21,3,23,27,24,26,4,19,18,11,2,22,25,5,14,10,7,6,8,15,13,17,28,29,9,12,16/E:(1,2)(3,4)(6,7)(8,9)/rA:30nCCCCCCCCOCCOCCCOCCCCCCCCCCCOOC/rB:s1;d2;s3;s4;s5;d6;s7;d8;s8;d10;s11;s7s12;d13;d5s14;s15;s16;s17;s14d18;s17;s17;s10;s22;d23;s24;d25;d22s26;s25;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4665
Area:607.363
Solvation:-4.71761
Coulombic:-57.0331
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:404.455
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):5.99

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