Chemical ID: 4336487

C=CCOc1ccc(cc1)C=CC(=O)c2cccc(c2)Br
Chemical ID:
4336487
Name [?]:
3-(4-allyloxyphenyl)-1-(3-bromophenyl)-prop-2-en-1-one
SMILES [?]:
C=CCOc1ccc(cc1)C=CC(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C18H15BrO2/c1-2-12-21-17-9-6-14(7-10-17)8-11-18(20)15-4-3-5-16(19)13-15/h2-11,13H,1,12H2
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,7,9,11,6,10,12,3,20,8,15,19,5,13,21,14,4/E:(6,7)(9,10)/rA:21nCCCOCCCCCCCCCOCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.4455
Area:508.566
Solvation:-3.26865
Coulombic:-19.7454
Bond Count [?]
All:22
Single:13
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:343.215
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.18
LogP (Chemaxon):5.29

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