Chemical ID: 6676392

Cc1ccc(c(c1)OC)C(=O)C=C(C)C
Chemical ID:
6676392
Name [?]:
1-(2-methoxy-4-methyl-phenyl)-3-methyl-but-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)OC)C(=O)C=C(C)C
InChi [?]:
InChI=1/C13H16O2/c1-9(2)7-12(14)11-6-5-10(3)8-13(11)15-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:14,15,1,9,3,4,12,7,13,2,5,10,6,11,8/E:(1,2)/rA:15nCCCCCCCOCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;d10;s10;d12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.27599
Area:392.51
Solvation:-3.53676
Coulombic:-15.6275
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:204.265
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):3.16

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Descriptor Annotations

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