Chemical ID: 5554793

COc1ccc(c(c1)OC)C(=O)COc2ccc(cc2)Br
Chemical ID:
5554793
Name [?]:
2-(4-bromophenoxy)-1-(2,4-dimethoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C16H15BrO4/c1-19-13-7-8-14(16(9-13)20-2)15(18)10-21-12-5-3-11(17)4-6-12/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,19,16,20,4,5,8,13,18,15,3,6,11,7,21,12,2,9,14/E:(3,4)(5,6)/rA:21nCOCCCCCCOCCOCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.08682
Area:503.419
Solvation:-7.49864
Coulombic:-27.7441
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.192
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.89
LogP (Chemaxon):3.15

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