Chemical ID: 6847232

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4)C(C)C)C
Chemical ID:
6847232
Name [?]:
2-(2-furyl)-3-[2-(4-isopropylphenyl)-2-oxo-ethoxy]-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4)C(C)C)C
InChi [?]:
InChI=1/C26H24O5/c1-15(2)18-7-9-19(10-8-18)21(27)14-30-26-23(28)20-13-16(3)12-17(4)24(20)31-25(26)22-6-5-11-29-22/h5-13,15H,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:29,30,1,31,15,14,24,26,23,27,16,3,7,19,28,2,4,25,22,6,20,13,8,5,11,10,21,9,17,18,12/E:(1,2)(7,8)(9,10)/rA:31nCCCCCCCCOCCOCCCCOOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24O5
All Atoms:55
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.455
Area:647.285
Solvation:-5.72715
Coulombic:-41.6913
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.466
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.96
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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