Chemical ID: 4148601

Cc1cccc(c1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)O
Chemical ID:
4148601
Name [?]:
7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-4-one
SMILES [?]:
Cc1cccc(c1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)O
InChi [?]:
InChI=1/C17H11F3O4/c1-9-3-2-4-11(7-9)23-15-14(22)12-6-5-10(21)8-13(12)24-16(15)17(18,19)20/h2-8,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,14,13,7,16,2,15,6,12,17,10,9,19,20,21,22,23,24,11,8,18/E:(18,19,20)/rA:24nCCCCCCCOCCOCCCCCCOCCFFFO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;s20;s20;s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11F3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.66448
Area:473.098
Solvation:-4.16296
Coulombic:-59.7344
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:336.262
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):4.43

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Descriptor Annotations

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