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Chemical ID: 6294781
Chemical ID:
6294781
Name [?]:
(4-acetylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILES [?]:
CC(=O)c1ccc(cc1)OC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H18O5/c1-13(20)15-6-8-16(9-7-15)24-19(21)11-5-14-4-10-17(22-2)18(12-14)23-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,16,14,5,9,6,8,17,13,20,2,15,4,7,18,19,11,3,12,23,21,10/E:(6,7)(8,9)/rA:24nCCOCCCCCCOCOCCCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.56911 |
Area: | 526.235 |
Solvation: | -6.58677 |
Coulombic: | -40.8098 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 326.343 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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