Chemical ID: 5186907

COc1ccc(cc1OC)C=CC(=O)c2ccc(c(c2)OC)OCc3ccccc3
Chemical ID:
5186907
Name [?]:
1-(4-benzyloxy-3-methoxy-phenyl)-3-(3,4-dimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OC)C=CC(=O)c2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C25H24O5/c1-27-22-13-10-18(15-24(22)28-2)9-12-21(26)20-11-14-23(25(16-20)29-3)30-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,22,28,27,29,26,30,11,5,16,12,4,17,7,20,24,6,25,15,13,3,18,8,19,14,2,9,21,23/E:(5,6)(7,8)/rA:30nCOCCCCCCOCCCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.94931
Area:650.239
Solvation:-9.30666
Coulombic:-38.4242
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:404.455
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.68
LogP (Chemaxon):4.78

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Descriptor Annotations

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