Chemical ID: 6656419

Cc1cc(cc(c1O)C)CCC(=O)C
Chemical ID:
6656419
Name [?]:
4-(4-hydroxy-3,5-dimethyl-phenyl)butan-2-one
SMILES [?]:
Cc1cc(cc(c1O)C)CCC(=O)C
InChi [?]:
InChI=1/C12H16O2/c1-8-6-11(5-4-10(3)13)7-9(2)12(8)14/h6-7,14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,14,11,10,3,5,2,6,12,4,7,13,8/E:(1,2)(6,7)(8,9)/rA:14nCCCCCCCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.93169
Area:387.239
Solvation:-2.74928
Coulombic:-22.9586
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.93
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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