Chemical ID: 4900334

COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)Cl
Chemical ID:
4900334
Name [?]:
6-[(2,6-dichlorophenyl)methoxy]-2-[(2,4-dimethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)Cl
InChi [?]:
InChI=1/C24H18Cl2O5/c1-28-15-7-6-14(21(11-15)29-2)10-23-24(27)17-9-8-16(12-22(17)31-23)30-13-18-19(25)4-3-5-20(18)26/h3-12H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,27,26,28,5,4,17,16,11,8,19,23,6,3,18,15,24,25,29,7,20,12,13,31,30,14,2,9,22,21/E:(4,5)(19,20)(25,26)/rA:31nCOCCCCCCOCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.1341
Area:666.789
Solvation:-5.53563
Coulombic:-41.3684
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:457.302
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.33
LogP (Chemaxon):5.39

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Descriptor Annotations

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