Chemical ID: 7154975

COc1cc(ccc1OCc2ccc(cc2)F)C(=O)O
Chemical ID:
7154975
Name [?]:
4-[(4-fluorophenyl)methoxy]-3-methoxy-benzoic acid
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)F)C(=O)O
InChi [?]:
InChI=1/C15H13FO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,16,6,13,15,7,4,10,11,5,14,8,3,18,17,19,20,2,9/E:(2,3)(5,6)(17,18)/rA:20nCOCCCCCCOCCCCCCCFCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13FO4
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.69812
Area:465.778
Solvation:-5.94633
Coulombic:-46.1078
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.26
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.07
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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