Chemical ID: 4963737

CC(C)c1ccc(cc1)OCC(C)O
Chemical ID:
4963737
Name [?]:
1-(4-isopropylphenoxy)propan-2-ol
SMILES [?]:
CC(C)c1ccc(cc1)OCC(C)O
InChi [?]:
InChI=1/C12H18O2/c1-9(2)11-4-6-12(7-5-11)14-8-10(3)13/h4-7,9-10,13H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,13,5,9,6,8,11,2,12,4,7,14,10/E:(1,2)(4,5)(6,7)/rA:14cCCCCCCCCCOCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.34533
Area:391.977
Solvation:-3.4541
Coulombic:-25.3748
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:3.09
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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