Chemical ID: 6681804

CCCCOc1ccc(cc1)CO
Chemical ID:
6681804
Name [?]:
(4-butoxyphenyl)methanol
SMILES [?]:
CCCCOc1ccc(cc1)CO
InChi [?]:
InChI=1/C11H16O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,12H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,12,9,6,13,5/E:(4,5)(6,7)/rA:13nCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.35277
Area:380.39
Solvation:-3.15699
Coulombic:-25.4982
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.48
LogP (Chemaxon):2.47

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Descriptor Annotations

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