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Chemical ID: 4944625
Chemical ID:
4944625
Name [?]:
1,3-dimethoxy-5-[2-(4-methoxyphenyl)vinyl]benzene
SMILES [?]:
COc1ccc(cc1)C=Cc2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,20,9,10,5,7,4,8,16,12,14,6,11,3,15,13,2,17,19/E:(2,3)(6,7)(8,9)(10,11)(16,17)(19,20)/rA:20nCOCCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33437 |
Area: | 451.828 |
Solvation: | -4.96134 |
Coulombic: | -23.2439 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 270.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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