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Chemical ID: 6047566
Chemical ID:
6047566
Name [?]:
5-[2-(3,5-dimethoxyphenyl)vinyl]-2-methoxy-phenol
SMILES [?]:
COc1ccc(cc1O)C=Cc2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:19,21,1,10,11,5,4,17,13,7,15,6,12,16,14,8,3,9,18,20,2/E:(1,2)(8,9)(14,15)(19,20)/rA:21nCOCCCCCCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.54052 |
Area: | 465.638 |
Solvation: | -6.10043 |
Coulombic: | -38.7829 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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