Chemical ID: 6678599

Cc1cc(c(cc1O)C)C(=O)C
Chemical ID:
6678599
Name [?]:
1-(4-hydroxy-2,5-dimethyl-phenyl)ethanone
SMILES [?]:
Cc1cc(c(cc1O)C)C(=O)C
InChi [?]:
InChI=1/C10H12O2/c1-6-5-10(12)7(2)4-9(6)8(3)11/h4-5,12H,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,12,3,6,5,2,10,4,7,11,8/rA:12nCCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.7378
Area:326.087
Solvation:-2.41439
Coulombic:-23.5895
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.12
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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