Chemical ID: 7310702

COc1ccc(cc1OC)C=CC(=O)c2cc(c(c(c2)OC)OC)OC
Chemical ID:
7310702
Name [?]:
3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H22O6/c1-22-16-9-7-13(10-17(16)23-2)6-8-15(21)14-11-18(24-3)20(26-5)19(12-14)25-4/h6-12H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,10,22,26,24,11,5,12,4,7,20,16,6,15,13,3,8,19,17,18,14,2,9,21,25,23/E:(3,4)(11,12)(18,19)(24,25)/rA:26nCOCCCCCCOCCCCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s17;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22O6
All Atoms:48
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:4.46177
Area:588.28
Solvation:-10.2452
Coulombic:-43.4314
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:358.385
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):2.75

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Descriptor Annotations

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