Chemical ID: 5048161

CCCCCOc1ccc(cc1)CCO
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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