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Chemical ID: 4174054

Chemical ID:

4174054

Name [?]:

1-(2,4-dimethoxyphenyl)-3-(p-tolyl)prop-2-en-1-one

SMILES [?]:

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2OC)OC

InChi [?]:

InChI=1/C18H18O3/c1-13-4-6-14(7-5-13)8-11-17(19)16-10-9-15(20-2)12-18(16)21-3/h4-12H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,19,3,7,4,6,8,14,13,9,16,2,5,15,12,10,17,11,20,18/E:(4,5)(6,7)/rA:21nCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.40017
Area:	478.404
Solvation:	-5.55994
Coulombic:	-22.3707

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	282.334
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.11
LogP (Chemaxon):	3.97

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value