Chemical ID: 5576883

CCCCCCCOc1ccc(cc1)O
Chemical ID:
5576883
Name [?]:
4-heptoxyphenol
SMILES [?]:
CCCCCCCOc1ccc(cc1)O
InChi [?]:
InChI=1/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,11,13,10,14,7,12,9,15,8/E:(7,8)(9,10)/rA:15nCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.23106
Area:433.701
Solvation:-2.61145
Coulombic:-25.4448
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:4.59
LogP (Chemaxon):3.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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