Chemical ID: 4695622

CCCCCCOc1ccc(cc1)O
Chemical ID:
4695622
Name [?]:
4-hexoxyphenol
SMILES [?]:
CCCCCCOc1ccc(cc1)O
InChi [?]:
InChI=1/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,10,12,9,13,6,11,8,14,7/E:(6,7)(8,9)/rA:14nCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.61244
Area:408.958
Solvation:-2.61152
Coulombic:-25.1411
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.27
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.02
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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