Chemical ID: 4336608

Cc1ccc(cc1)C(=O)C=Cc2cccc(c2)OCC=C
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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Descriptor Annotations

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