Chemical ID: 6653172

Cc1cc(c(c(c1C)C(=O)C)C)C
Chemical ID:
6653172
Name [?]:
1-(2,3,5,6-tetramethylphenyl)ethanone
SMILES [?]:
Cc1cc(c(c(c1C)C(=O)C)C)C
InChi [?]:
InChI=1/C12H16O/c1-7-6-8(2)10(4)12(9(7)3)11(5)13/h6H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,8,12,11,3,2,4,7,5,9,6,10/E:(1,2)(3,4)(7,8)(9,10)/rA:13nCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s5;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.0992
Area:350.287
Solvation:-1.65797
Coulombic:-8.19083
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.255
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.61
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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