Chemical ID: 6406577

COc1cccc(c1OC)C=CC(=O)C=Cc2cccc(c2OC)OC
Chemical ID:
6406577
Name [?]:
1,5-bis(2,3-dimethoxyphenyl)penta-1,4-dien-3-one
SMILES [?]:
COc1cccc(c1OC)C=CC(=O)C=Cc2cccc(c2OC)OC
InChi [?]:
InChI=1/C21H22O5/c1-23-18-9-5-7-15(20(18)25-3)11-13-17(22)14-12-16-8-6-10-19(24-2)21(16)26-4/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,10,24,5,19,6,18,4,20,11,16,12,15,7,17,13,3,21,8,22,14,2,25,9,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(23,24)(25,26)/rA:26nCOCCCCCCOCCCCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s21;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.76781
Area:541.48
Solvation:-7.76918
Coulombic:-38.9779
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:354.396
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.24
LogP (Chemaxon):3.51

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