Chemical ID: 4375493

CCOc1cc(cc(c1OCc2ccc(c(c2)Cl)Cl)CC=C)C=O
Chemical ID:
4375493
Name [?]:
3-allyl-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(cc(c1OCc2ccc(c(c2)Cl)Cl)CC=C)C=O
InChi [?]:
InChI=1/C19H18Cl2O3/c1-3-5-15-8-14(11-22)10-18(23-4-2)19(15)24-12-13-6-7-16(20)17(21)9-13/h3,6-11H,1,4-5,12H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,2,20,13,14,7,17,5,23,11,12,6,8,15,16,4,9,19,18,24,3,10/rA:24nCCOCCCCCCOCCCCCCCClClCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s8;s20;d21;s6;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.95494
Area:591.875
Solvation:-4.84195
Coulombic:-25.9221
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.25
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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