Chemical ID: 5710643

c1cc(cc(c1)C(F)(F)F)COC(=O)c2ccc(cc2O)O
Chemical ID:
5710643
Name [?]:
[3-(trifluoromethyl)phenyl]methyl 2,4-dihydroxybenzoate
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)COC(=O)c2ccc(cc2O)O
InChi [?]:
InChI=1/C15H11F3O4/c16-15(17,18)10-3-1-2-9(6-10)8-22-14(21)12-5-4-11(19)7-13(12)20/h1-7,19-20H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,16,4,19,11,3,5,18,15,20,13,7,8,9,10,22,21,14,12/E:(16,17,18)/rA:22nCCCCCCCFFFCOCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.60544
Area:482.392
Solvation:-4.45437
Coulombic:-70.9155
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.241
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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