Chemical ID: 6653504

COc1ccc(cc1OC)C(=O)C=Cc2ccc(c(c2)OC)OCc3ccccc3
Chemical ID:
6653504
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-1-(3,4-dimethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1OC)C(=O)C=Cc2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C25H24O5/c1-27-22-14-11-20(16-25(22)29-3)21(26)12-9-18-10-13-23(24(15-18)28-2)30-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,10,28,27,29,26,30,14,16,5,13,17,4,20,7,24,15,25,6,11,3,18,19,8,12,2,21,9,23/E:(5,6)(7,8)/rA:30nCOCCCCCCOCCOCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;w13;s14;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:6.95603
Area:649.167
Solvation:-9.27314
Coulombic:-38.4436
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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