Chemical ID: 7040495

Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4ccc(cc4)C(=O)C=Cc5ccccc5OC
Chemical ID:
7040495
Name [?]:
[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] 5-benzyloxy-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c2cc(ccc2o1)OCc3ccccc3)C(=O)Oc4ccc(cc4)C(=O)C=Cc5ccccc5OC
InChi [?]:
InChI=1/C33H26O6/c1-22-32(28-20-27(17-19-31(28)38-22)37-21-23-8-4-3-5-9-23)33(35)39-26-15-12-24(13-16-26)29(34)18-14-25-10-6-7-11-30(25)36-2/h3-20H,21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,39,16,15,17,34,35,14,18,33,36,24,26,31,23,27,7,30,8,5,12,2,13,25,32,22,6,4,28,37,9,3,19,29,20,38,11,10,21/E:(4,5)(8,9)(12,13)(15,16)/rA:39nCCCCCCCCCOOCCCCCCCCOOCCCCCCCOCCCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s3;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;s28;w30;s31;s32;d33;s34;d35;d32s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H26O6
All Atoms:65
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:13.6943
Area:820.362
Solvation:-6.8148
Coulombic:-52.5027
Bond Count [?]
All:43
Single:27
Double:16
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:518.556
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.09
LogP (Chemaxon):7.11

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