ChemDB: Chemical Search
Download
Chemical ID: 6303649
Chemical ID:
6303649
Name [?]:
4-methoxy-3-[(4-propylphenoxy)methyl]benzaldehyde
SMILES [?]:
CCCc1ccc(cc1)OCc2cc(ccc2OC)C=O
InChi [?]:
InChI=1/C18H20O3/c1-3-4-14-5-8-17(9-6-14)21-13-16-11-15(12-19)7-10-18(16)20-2/h5-12H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,5,9,15,6,8,16,13,20,11,4,14,12,7,17,21,18,10/E:(5,6)(8,9)/rA:21nCCCCCCCCCOCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99393 |
Area: | 512.467 |
Solvation: | -3.81774 |
Coulombic: | -24.8086 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 284.35 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.25 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|