Chemical ID: 4935185

CCOC(=O)COc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC
Chemical ID:
4935185
Name [?]:
ethyl 2-[4-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C20H20O5/c1-3-24-20(22)14-25-18-9-4-15(5-10-18)6-13-19(21)16-7-11-17(23-2)12-8-16/h4-13H,3,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,10,12,14,19,23,9,13,20,22,15,6,11,18,21,8,16,4,17,5,24,3,7/E:(4,5)(7,8)(9,10)(11,12)/rA:25nCCOCOCOCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;w14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.51897
Area:577.156
Solvation:-5.90993
Coulombic:-43.1669
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:340.37
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.8
LogP (Chemaxon):3.42

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Descriptor Annotations

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