Chemical ID: 4575295

COc1ccc(cc1)C(=O)COc2ccc3c(c2)OC(=CC=Cc4ccccc4OC)C3=O
Chemical ID:
4575295
Name [?]:
6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-2-[3-(2-methoxyphenyl)prop-2-enylidene]benzofuran-3-one
SMILES [?]:
COc1ccc(cc1)C(=O)COc2ccc3c(c2)OC(=CC=Cc4ccccc4OC)C3=O
InChi [?]:
InChI=1/C27H22O6/c1-30-20-12-10-18(11-13-20)23(28)17-32-21-14-15-22-26(16-21)33-25(27(22)29)9-5-7-19-6-3-4-8-24(19)31-2/h3-16H,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,26,27,22,25,23,28,21,5,7,4,8,14,15,18,11,6,24,3,13,16,9,29,20,17,32,10,33,2,30,12,19/E:(10,11)(12,13)/rA:33nCOCCCCCCCOCOCCCCCCOCCCCCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;w20;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s30;s16s20;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.42379
Area:696.532
Solvation:-7.98951
Coulombic:-48.2935
Bond Count [?]
All:36
Single:23
Double:13
Rotors:8
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:442.46
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.97
LogP (Chemaxon):4.17

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