Chemical ID: 5255079

CCCOc1ccc(cc1)CC
Chemical ID:
5255079
Name [?]:
1-ethyl-4-propoxy-benzene
SMILES [?]:
CCCOc1ccc(cc1)CC
InChi [?]:
InChI=1/C11H16O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,7,9,6,10,3,8,5,4/E:(5,6)(7,8)/rA:12nCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.25058
Area:357.707
Solvation:-1.69208
Coulombic:-9.56806
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:164.244
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.62
LogP (Chemaxon):3.47

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