Chemical ID: 3990977

COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C=O
Chemical ID:
3990977
Name [?]:
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C=O
InChi [?]:
InChI=1/C15H12Cl2O3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(16)7-13(11)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,12,13,7,4,15,19,10,5,11,14,16,8,3,18,17,20,2,9/rA:20nCOCCCCCCOCCCCCCCClClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s5;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.47508
Area:506.989
Solvation:-5.19964
Coulombic:-23.2169
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.159
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):4.03

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