Chemical ID: 4515424

CCCCOc1ccc(cc1)O
Chemical ID:
4515424
Name [?]:
4-butoxyphenol
SMILES [?]:
CCCCOc1ccc(cc1)O
InChi [?]:
InChI=1/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,4,9,6,12,5/E:(4,5)(6,7)/rA:12nCCCCOCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.27487
Area:355.084
Solvation:-2.60224
Coulombic:-24.5359
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.217
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.88
LogP (Chemaxon):2.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue