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Chemical ID: 7154975
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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