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Chemical ID: 6663828
Chemical ID:
6663828
Name [?]:
3-(2-ethoxyphenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
CCOc1ccccc1C=CC(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C18H18O2/c1-3-20-18-7-5-4-6-16(18)12-13-17(19)15-10-8-14(2)9-11-15/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,7,6,8,5,16,18,15,19,10,11,17,14,9,12,4,13,3/E:(8,9)(10,11)/rA:20nCCOCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71976 |
Area: | 474.093 |
Solvation: | -3.13256 |
Coulombic: | -18.5327 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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