Chemical ID: 5438087

c1cc(ccc1C2CCCCC2)C(=O)COc3ccc(cc3)C(=O)c4ccc(cc4)F
Chemical ID:
5438087
Name [?]:
1-(4-cyclohexylphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]-ethanone
SMILES [?]:
c1cc(ccc1C2CCCCC2)C(=O)COc3ccc(cc3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C27H25FO3/c28-24-14-10-22(11-15-24)27(30)23-12-16-25(17-13-23)31-18-26(29)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h6-17,19H,1-5,18H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,12,1,5,2,4,26,30,19,21,27,29,18,22,15,7,6,3,25,20,28,17,13,23,31,14,24,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:31nCCCCCCCCCCCCCOCOCCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s3;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25FO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.477
Area:660.415
Solvation:-6.03338
Coulombic:-30.5086
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:416.484
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.75
LogP (Chemaxon):6.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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