Chemical ID: 4574416

COc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
Chemical ID:
4574416
Name [?]:
[2-[(4-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H18O6/c1-27-17-8-6-15(7-9-17)12-22-23(25)20-11-10-19(14-21(20)30-22)29-24(26)16-4-3-5-18(13-16)28-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,25,24,26,5,7,4,8,15,14,9,28,17,6,23,3,27,16,13,18,10,11,21,12,22,2,29,20,19/E:(6,7)(8,9)/rA:30nCOCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.2985
Area:628.41
Solvation:-5.41178
Coulombic:-52.2537
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:402.396
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):4.06

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