Chemical ID: 7291187

Cc1ccc(c(c1)COc2c(cc(cc2C(=O)C)C)C(=O)C)C
Chemical ID:
7291187
Name [?]:
1-[3-acetyl-2-[(2,5-dimethylphenyl)methoxy]-5-methyl-phenyl]ethanone
SMILES [?]:
Cc1ccc(c(c1)COc2c(cc(cc2C(=O)C)C)C(=O)C)C
InChi [?]:
InChI=1/C20H22O3/c1-12-6-7-14(3)17(8-12)11-23-20-18(15(4)21)9-13(2)10-19(20)16(5)22/h6-10H,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,23,18,22,3,4,7,14,12,8,2,13,5,16,20,6,15,11,10,17,21,9/E:(4,5)(9,10)(15,16)(18,19)(21,22)/rA:23nCCCCCCCCOCCCCCCCOCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;s11;d20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22O3
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.51592
Area:516.616
Solvation:-5.39948
Coulombic:-21.0565
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):3.59

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Descriptor Annotations

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