Chemical ID: 4201695

CCOc1cc(cc(c1OCC(=O)OC)CC=C)C=O
Chemical ID:
4201695
Name [?]:
methyl 2-(2-allyl-6-ethoxy-4-formyl-phenoxy)acetate
SMILES [?]:
CCOc1cc(cc(c1OCC(=O)OC)CC=C)C=O
InChi [?]:
InChI=1/C15H18O5/c1-4-6-12-7-11(9-16)8-13(19-5-2)15(12)20-10-14(17)18-3/h4,7-9H,1,5-6,10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:18,1,15,17,2,16,7,5,19,11,6,8,4,12,9,20,13,14,3,10/rA:20nCCOCCCCCCOCCOOCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s8;s16;d17;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.5429
Area:504.393
Solvation:-6.06692
Coulombic:-42.1215
Bond Count [?]
All:20
Single:14
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:278.3
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.49
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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