Chemical ID: 4438960

CCOc1cc(ccc1OCc2ccc(cc2)Br)CO
Chemical ID:
4438960
Name [?]:
[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]methanol
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Br)CO
InChi [?]:
InChI=1/C16H17BrO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-9,18H,2,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,7,14,16,8,5,19,11,12,6,15,9,4,18,20,3,10/E:(3,4)(6,7)/rA:20nCCOCCCCCCOCCCCCCCBrCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.11221
Area:506.768
Solvation:-5.55698
Coulombic:-32.7618
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.208
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.7
LogP (Chemaxon):3.92

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