Chemical ID: 5048159

CCCCCCOc1ccccc1CO
Chemical ID:
5048159
Name [?]:
(2-hexoxyphenyl)methanol
SMILES [?]:
CCCCCCOc1ccccc1CO
InChi [?]:
InChI=1/C13H20O2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9,14H,2-4,7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,11,10,5,12,9,6,14,13,8,15,7/rA:15nCCCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.30517
Area:427.294
Solvation:-2.37718
Coulombic:-27.2121
Bond Count [?]
All:15
Single:12
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.297
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.61
LogP (Chemaxon):3.26

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Descriptor Annotations

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