ChemDB: Chemical Search
Download
Chemical ID: 4254012
Chemical ID:
4254012
Name [?]:
3-[(3-chlorophenyl)methoxy]-4-methoxy-benzaldehyde
SMILES [?]:
COc1ccc(cc1OCc2cccc(c2)Cl)C=O
InChi [?]:
InChI=1/C15H13ClO3/c1-18-14-6-5-11(9-17)8-15(14)19-10-12-3-2-4-13(16)7-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,5,4,16,7,18,10,6,11,15,3,8,17,19,2,9/rA:19nCOCCCCCCOCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s6;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14716 |
Area: | 479.822 |
Solvation: | -5.8484 |
Coulombic: | -22.5945 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.51 |
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 |
---|