Chemical ID: 6847133

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4)C
Chemical ID:
6847133
Name [?]:
[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl] benzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccccc4)C
InChi [?]:
InChI=1/C22H16O5/c1-13-11-14(2)19-16(12-13)18(23)21(20(26-19)17-9-6-10-25-17)27-22(24)15-7-4-3-5-8-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,25,15,22,26,14,16,3,7,2,4,21,6,13,8,5,11,10,19,9,20,17,12,18/E:(4,5)(7,8)/rA:27nCCCCCCCCOCCOCCCCOOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O5
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6561
Area:551.026
Solvation:-3.1196
Coulombic:-46.5321
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.82
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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