Chemical ID: 4500424

Cc1ccc(c(c1)C)OCCCOc2ccc(cc2)C=O
Chemical ID:
4500424
Name [?]:
4-[3-(2,4-dimethylphenoxy)propoxy]benzaldehyde
SMILES [?]:
Cc1ccc(c(c1)C)OCCCOc2ccc(cc2)C=O
InChi [?]:
InChI=1/C18H20O3/c1-14-4-9-18(15(2)12-14)21-11-3-10-20-17-7-5-16(13-19)6-8-17/h4-9,12-13H,3,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,11,3,16,18,15,19,4,12,10,7,20,2,6,17,14,5,21,13,9/E:(5,6)(7,8)/rA:21nCCCCCCCCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.00556
Area:521.043
Solvation:-5.02051
Coulombic:-22.8038
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:284.35
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):4.07

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