ChemDB: Chemical Search
Download
Chemical ID: 6154573
Chemical ID:
6154573
Name [?]:
(4-benzyloxyphenyl) 3-(3-methoxy-4-propoxy-phenyl)prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C26H26O5/c1-3-17-29-24-15-9-20(18-25(24)28-2)10-16-26(27)31-23-13-11-22(12-14-23)30-19-21-7-5-4-6-8-21/h4-16,18H,3,17,19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,29,28,30,27,31,7,13,20,22,19,23,6,14,3,9,25,8,26,21,18,5,10,15,16,11,4,24,17/E:(5,6)(7,8)(11,12)(13,14)/rA:31nCCCOCCCCCCOCCCCOOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0991 |
Area: | 680.583 |
Solvation: | -6.9155 |
Coulombic: | -43.3964 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 418.482 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.76 |
LogP (Chemaxon): | 5.7 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|