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Chemical ID: 7295041
Chemical ID:
7295041
Name [?]:
1-(2,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)-prop-2-en-1-one
SMILES [?]:
CCOc1ccccc1C=CC(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H20O4/c1-4-23-18-8-6-5-7-14(18)9-12-17(20)16-11-10-15(21-2)13-19(16)22-3/h5-13H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,7,6,8,5,10,16,15,11,18,9,17,14,12,4,19,13,22,20,3/rA:23nCCOCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20O4 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80951 |
Area: | 540.823 |
Solvation: | -6.71105 |
Coulombic: | -29.9069 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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