Chemical ID: 5048121

CC(C)COc1ccc(cc1)CCO
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

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Descriptor Annotations

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