Chemical ID: 7047950

Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
Chemical ID:
7047950
Name [?]:
[3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] 3-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H18O5/c1-15-6-8-16(9-7-15)12-22-23(25)20-11-10-19(14-21(20)29-22)28-24(26)17-4-3-5-18(13-17)27-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,23,25,3,7,4,6,14,13,8,27,16,2,5,22,26,15,12,17,9,10,20,11,21,28,19,18/E:(6,7)(8,9)/rA:29nCCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18O5
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3982
Area:618.581
Solvation:-4.06636
Coulombic:-45.971
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:386.397
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.49
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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