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Chemical ID: 5186907
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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