Chemical ID: 4998455

Cc1ccc(c(c1)C)OC2CCOC2=O
Chemical ID:
4998455
Name [?]:
3-(2,4-dimethylphenoxy)tetrahydrofuran-2-one
SMILES [?]:
Cc1ccc(c(c1)C)OC2CCOC2=O
InChi [?]:
InChI=1/C12H14O3/c1-8-3-4-10(9(2)7-8)15-11-5-6-14-12(11)13/h3-4,7,11H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,11,12,7,2,6,5,10,14,15,13,9/rA:15cCCCCCCCCOCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s10s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.84431
Area:373.251
Solvation:-3.48696
Coulombic:-26.973
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.238
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):2.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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