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Chemical ID: 4336608
Chemical ID:
4336608
Name [?]:
3-(3-allyloxyphenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C19H18O2/c1-3-13-21-18-6-4-5-16(14-18)9-12-19(20)17-10-7-15(2)8-11-17/h3-12,14H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:21,1,20,14,13,15,3,7,11,4,6,10,19,17,2,12,5,16,8,9,18/E:(7,8)(10,11)/rA:21nCCCCCCCCOCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29286 |
Area: | 502.344 |
Solvation: | -3.26574 |
Coulombic: | -19.9071 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.345 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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