Chemical ID: 6652922

CC(=O)c1ccc(cc1)CCCCc2ccc(cc2)C(=O)C
Chemical ID:
6652922
Name [?]:
1-[4-[4-(4-acetylphenyl)butyl]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)CCCCc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C20H22O2/c1-15(21)19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)16(2)22/h7-14H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,11,12,10,13,6,8,15,19,5,9,16,18,2,20,7,14,4,17,3,21/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCOCCCCCCCCCCCCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5355
Area:552.137
Solvation:-3.26791
Coulombic:-17.6877
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:294.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.19
LogP (Chemaxon):3.93

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Descriptor Annotations

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