Chemical ID: 3997989

Cc1ccc(c(c1C)OCC2CO2)C
Chemical ID:
3997989
Name [?]:
2-[(2,3,6-trimethylphenoxy)methyl]oxirane
SMILES [?]:
Cc1ccc(c(c1C)OCC2CO2)C
InChi [?]:
InChI=1/C12H16O2/c1-8-4-5-9(2)12(10(8)3)14-7-11-6-13-11/h4-5,11H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,8,3,4,12,10,2,5,7,11,6,13,9/rA:14cCCCCCCCCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s11s12;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.92868
Area:375.147
Solvation:-3.45001
Coulombic:-16.6099
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.254
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.46
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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