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Chemical ID: 5048159
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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