Chemical ID: 5151741

Cc1ccc(c(c1)CCCCO)OC
Chemical ID:
5151741
Name [?]:
4-(2-methoxy-5-methyl-phenyl)butan-1-ol
SMILES [?]:
Cc1ccc(c(c1)CCCCO)OC
InChi [?]:
InChI=1/C12H18O2/c1-10-6-7-12(14-2)11(9-10)5-3-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,9,10,8,3,4,11,7,2,6,5,12,13/rA:14nCCCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.79244
Area:395.747
Solvation:-3.10123
Coulombic:-25.171
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:2.44
LogP (Chemaxon):2.77

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Experimental Annotations

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Descriptor Annotations

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