Chemical ID: 6663828

CCOc1ccccc1C=CC(=O)c2ccc(cc2)C
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

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