Chemical ID: 5721949

CCOc1cc(ccc1OC)C=CC(=O)c2ccc(c(c2)OC)OCC(=O)O
Chemical ID:
5721949
Name [?]:
2-[4-[3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
CCOc1cc(ccc1OC)C=CC(=O)c2ccc(c(c2)OC)OCC(=O)O
InChi [?]:
InChI=1/C21H22O7/c1-4-27-20-11-14(6-9-17(20)25-2)5-8-16(22)15-7-10-18(19(12-15)26-3)28-13-21(23)24/h5-12H,4,13H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,23,2,12,7,17,13,8,18,5,21,25,6,16,14,9,19,20,4,26,15,27,28,10,22,3,24/E:(23,24)/rA:28nCCOCCCCCCOCCCCOCCCCCCOCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22O7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.10695
Area:623.421
Solvation:-10.4786
Coulombic:-62.5361
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:386.395
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.78
LogP (Chemaxon):2.89

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Descriptor Annotations

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