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Chemical ID: 4973592
Chemical ID:
4973592
Name [?]:
4-(4-methoxyphenyl)-3-methyl-butan-2-ol
SMILES [?]:
CC(Cc1ccc(cc1)OC)C(C)O
InChi [?]:
InChI=1/C12H18O2/c1-9(10(2)13)8-11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,11,5,9,6,8,3,2,12,4,7,14,10/E:(4,5)(6,7)/rA:14cCCCCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s2;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.52028 |
Area: | 380.913 |
Solvation: | -3.00255 |
Coulombic: | -25.5664 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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