Chemical ID: 4195768

COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OCC=C
Chemical ID:
4195768
Name [?]:
3-(3-allyloxyphenyl)-1-(4-methoxyphenyl)-prop-2-en-1-one
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C19H18O3/c1-3-13-22-18-6-4-5-15(14-18)7-12-19(20)16-8-10-17(21-2)11-9-16/h3-12,14H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,15,14,16,12,5,7,4,8,11,20,18,13,6,3,17,9,10,2,19/E:(8,9)(10,11)/rA:22nCOCCCCCCCOCCCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.28925
Area:516.624
Solvation:-4.62636
Coulombic:-26.2086
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:294.344
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.29
LogP (Chemaxon):4.25

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Descriptor Annotations

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