Chemical ID: 4254012

COc1ccc(cc1OCc2cccc(c2)Cl)C=O
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

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Descriptor Annotations

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