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Chemical ID: 5048121
Chemical ID:
5048121
Name [?]:
2-(4-isobutoxyphenyl)ethanol
SMILES [?]:
CC(C)COc1ccc(cc1)CCO
InChi [?]:
InChI=1/C12H18O2/c1-10(2)9-14-12-5-3-11(4-6-12)7-8-13/h3-6,10,13H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,10,7,11,12,13,4,2,9,6,14,5/E:(1,2)(3,4)(5,6)/rA:14nCCCCOCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05034 |
Area: | 399.727 |
Solvation: | -2.94283 |
Coulombic: | -25.8737 |
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: | 2.36 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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