Chemical ID: 4925917

CC(C(=O)O)Oc1ccc(cc1)OCC2CCCCC2
Chemical ID:
4925917
Name [?]:
2-[4-(cyclohexylmethoxy)phenoxy]propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccc(cc1)OCC2CCCCC2
InChi [?]:
InChI=1/C16H22O4/c1-12(16(17)18)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,9,11,8,12,14,2,15,10,7,3,4,5,13,6/E:(3,4)(5,6)(7,8)(9,10)(17,18)/rA:20cCCCOOOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.19851
Area:490.749
Solvation:-4.07022
Coulombic:-43.6566
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.343
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):3.52

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