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Chemical ID: 7347888
Chemical ID:
7347888
Name [?]:
1-(4-methoxyphenyl)-2-[4-(p-tolyl)phenoxy]-propan-1-one
SMILES [?]:
Cc1ccc(cc1)c2ccc(cc2)OC(C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H22O3/c1-16-4-6-18(7-5-16)19-8-14-22(15-9-19)26-17(2)23(24)20-10-12-21(25-3)13-11-20/h4-15,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,26,3,7,4,6,9,13,20,24,21,23,10,12,2,15,5,8,19,22,11,17,18,25,14/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26cCCCCCCCCCCCCCOCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s15;s15;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22O3 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.56886 |
Area: | 585.854 |
Solvation: | -5.07749 |
Coulombic: | -25.8199 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.08 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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