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Chemical ID: 5151741
Chemical ID:
5151741
Name [?]:
4-(2-methoxy-5-methyl-phenyl)butan-1-ol
SMILES [?]:
Cc1ccc(c(c1)CCCCO)OC
InChi [?]:
InChI=1/C12H18O2/c1-10-6-7-12(14-2)11(9-10)5-3-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,8,3,4,11,7,2,6,5,12,13/rA:14nCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s5;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79244 |
Area: | 395.747 |
Solvation: | -3.10123 |
Coulombic: | -25.171 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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