Chemical ID: 4575486

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccccc4
Chemical ID:
4575486
Name [?]:
[2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] benzoate
SMILES [?]:
COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccccc4
InChi [?]:
InChI=1/C23H16O5/c1-26-17-9-5-6-15(12-17)13-21-22(24)19-11-10-18(14-20(19)28-21)27-23(25)16-7-3-2-4-8-16/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,5,6,24,28,4,15,14,8,9,17,7,23,3,16,13,18,10,11,21,12,22,2,20,19/E:(3,4)(7,8)/rA:28nCOCCCCCCCCCOCCCCCCOOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7126
Area:588.48
Solvation:-3.99942
Coulombic:-46.4147
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:372.37
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.05
LogP (Chemaxon):4.31

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Descriptor Annotations

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