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Chemical ID: 4160828
Chemical ID:
4160828
Name [?]:
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILES [?]:
CCOc1ccc(cc1OCC)C=CC(=O)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C20H22O5/c1-4-23-18-12-6-15(14-19(18)24-5-2)7-13-20(21)25-17-10-8-16(22-3)9-11-17/h6-14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,25,2,11,6,13,20,22,19,23,5,14,8,7,21,18,4,9,15,16,24,3,10,17/E:(8,9)(10,11)/rA:25nCCOCCCCCCOCCCCCOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6828 |
Area: | 567.058 |
Solvation: | -6.49365 |
Coulombic: | -41.0962 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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