Chemical ID: 7347888

Cc1ccc(cc1)c2ccc(cc2)OC(C)C(=O)c3ccc(cc3)OC
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

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Descriptor Annotations

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