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Chemical ID: 5048161
Chemical ID:
5048161
Name [?]:
2-(4-pentoxyphenyl)ethanol
SMILES [?]:
CCCCCOc1ccc(cc1)CCO
InChi [?]:
InChI=1/C13H20O2/c1-2-3-4-11-15-13-7-5-12(6-8-13)9-10-14/h5-8,14H,2-4,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,9,11,8,12,13,14,5,10,7,15,6/E:(5,6)(7,8)/rA:15nCCCCCOCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8462 |
Area: | 432.549 |
Solvation: | -2.96752 |
Coulombic: | -26.1786 |
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: | 3.2 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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