Chemical ID: 4337212

COc1cc(ccc1OCC=C)C=CC(=O)c2ccc(cc2)F
Chemical ID:
4337212
Name [?]:
3-(4-allyloxy-3-methoxy-phenyl)-1-(4-fluorophenyl)-prop-2-en-1-one
SMILES [?]:
COc1cc(ccc1OCC=C)C=CC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C19H17FO3/c1-3-12-23-18-11-5-14(13-19(18)22-2)4-10-17(21)15-6-8-16(20)9-7-15/h3-11,13H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,13,6,18,22,19,21,14,7,10,4,5,17,20,15,8,3,23,16,2,9/E:(6,7)(8,9)/rA:23nCOCCCCCCOCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.63358
Area:519.686
Solvation:-6.35856
Coulombic:-29.0028
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:312.335
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.39

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