Chemical ID: 4557726

COc1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC
Chemical ID:
4557726
Name [?]:
5,6,7-trimethoxy-2-(4-methoxyphenyl)-chromen-4-one
SMILES [?]:
COc1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC
InChi [?]:
InChI=1/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,23,21,5,7,4,8,10,16,6,3,11,9,14,17,13,18,19,12,2,24,22,20,15/E:(5,6)(7,8)/rA:25nCOCCCCCCCCCOCCOCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;s9s14;d14;s16;d17;d13s18;s19;s20;s18;s22;s17;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.92352
Area:530.788
Solvation:-7.34618
Coulombic:-43.8505
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.343
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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