Chemical ID: 4973592

CC(Cc1ccc(cc1)OC)C(C)O
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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