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Chemical ID: 6425258
Chemical ID:
6425258
Name [?]:
1-methoxy-3-[2-(3-methoxyphenyl)vinyl]benzene
SMILES [?]:
COc1cccc(c1)C=Cc2cccc(c2)OC
InChi [?]:
InChI=1/C16H16O2/c1-17-15-7-3-5-13(11-15)9-10-14-6-4-8-16(12-14)18-2/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,5,13,6,12,4,14,9,10,8,16,7,11,3,15,2,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCOCCCCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82677 |
Area: | 416.836 |
Solvation: | -3.59412 |
Coulombic: | -17.2687 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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