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Chemical ID: 4374855

Chemical ID:

4374855

Name [?]:

3-allyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-benzaldehyde

SMILES [?]:

CCOc1cc(cc(c1OCc2ccc(cc2Cl)Cl)CC=C)C=O

InChi [?]:

InChI=1/C19H18Cl2O3/c1-3-5-14-8-13(11-22)9-18(23-4-2)19(14)24-12-15-6-7-16(20)10-17(15)21/h3,6-11H,1,4-5,12H2,2H3

InChi Info:

AuxInfo=1/0/N:22,1,21,2,20,13,14,7,5,16,23,11,6,8,12,15,17,4,9,19,18,24,3,10/rA:24nCCOCCCCCCOCCCCCCCClClCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;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:	10.5051
Area:	594.864
Solvation:	-4.36647
Coulombic:	-26.2268

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value