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Chemical ID: 4533009

Chemical ID:

4533009

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)OCCOc2c(cc(cc2OC)C=O)CC=C

InChi [?]:

InChI=1/C20H22O4/c1-4-5-17-12-16(14-21)13-19(22-3)20(17)24-11-10-23-18-8-6-15(2)7-9-18/h4,6-9,12-14H,1,5,10-11H2,2-3H3

InChi Info:

AuxInfo=1/0/N:24,1,19,23,22,3,7,4,6,9,10,14,16,20,2,15,13,5,17,12,21,18,8,11/E:(6,7)(8,9)/rA:24nCCCCCCCOCCOCCCCCCOCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;d20;s13;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.80428
Area:	566.143
Solvation:	-6.3493
Coulombic:	-31.683

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	326.386
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.39
LogP (Chemaxon):	4.34

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