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Chemical ID: 6446681
Chemical ID:
6446681
Name [?]:
[3-(p-tolylmethoxy)phenyl]methanol
SMILES [?]:
Cc1ccc(cc1)COc2cccc(c2)CO
InChi [?]:
InChI=1/C15H16O2/c1-12-5-7-13(8-6-12)11-17-15-4-2-3-14(9-15)10-16/h2-9,16H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,3,7,4,6,15,16,8,2,5,14,10,17,9/E:(5,6)(7,8)/rA:17nCCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.2586 |
Area: | 435.166 |
Solvation: | -3.62054 |
Coulombic: | -26.307 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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