Chemical ID: 7154986

CCOc1cccc(c1OCc2ccc(cc2)F)C(=O)O
Chemical ID:
7154986
Name [?]:
3-ethoxy-2-[(4-fluorophenyl)methoxy]benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccc(cc2)F)C(=O)O
InChi [?]:
InChI=1/C16H15FO4/c1-2-20-14-5-3-4-13(16(18)19)15(14)21-10-11-6-8-12(17)9-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,13,17,14,16,11,12,15,8,4,9,19,18,20,21,3,10/E:(6,7)(8,9)(18,19)/rA:21nCCOCCCCCCOCCCCCCCFCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15FO4
All Atoms:36
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.47061
Area:471.611
Solvation:-5.31966
Coulombic:-47.093
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.286
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):3.32

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