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Chemical ID: 4912978
Chemical ID:
4912978
Name [?]:
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)vinyl]phenol
SMILES [?]:
COc1ccc(cc1O)C=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,23,21,10,11,5,4,7,17,13,6,12,8,3,16,14,15,9,2,18,22,20/E:(2,3)(10,11)(16,17)(21,22)/rA:23nCOCCCCCCOCCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.19059 |
Area: | 486.512 |
Solvation: | -7.9722 |
Coulombic: | -46.1008 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 316.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.51 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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