Chemical ID: 4901252

CCOC(=O)c1ccc(cc1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)C(C)C
Chemical ID:
4901252
Name [?]:
ethyl 4-[7-(2-methylpropanoyloxy)-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)C(C)C
InChi [?]:
InChI=1/C23H19F3O7/c1-4-30-22(29)13-5-7-14(8-6-13)31-19-18(27)16-10-9-15(32-21(28)12(2)3)11-17(16)33-20(19)23(24,25)26/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,33,2,7,11,8,10,18,17,20,31,6,9,19,16,21,14,13,23,29,4,24,25,26,27,15,30,5,3,12,28,22/E:(2,3)(5,6)(7,8)(24,25,26)/rA:33nCCOCOCCCCCCOCCOCCCCCCOCCFFFOCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s24;s24;s24;s19;s28;d29;s29;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19F3O7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.6165
Area:661.754
Solvation:-4.92733
Coulombic:-81.3925
Bond Count [?]
All:35
Single:25
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:464.388
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.11
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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