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Chemical ID: 5789306

Chemical ID:

5789306

Name [?]:

3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-prop-2-en-1-one

SMILES [?]:

COc1ccc(cc1)C=CC(=O)c2c(cc(cc2OC)OC)OC

InChi [?]:

InChI=1/C19H20O5/c1-21-14-8-5-13(6-9-14)7-10-16(20)19-17(23-3)11-15(22-2)12-18(19)24-4/h5-12H,1-4H3

InChi Info:

AuxInfo=1/0/N:1,22,20,24,5,7,9,4,8,10,17,15,6,3,16,11,18,14,13,12,2,21,19,23/E:(3,4)(5,6)(8,9)(11,12)(17,18)(23,24)/rA:24nCOCCCCCCCCCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s14;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀O₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.05297
Area:	519.414
Solvation:	-6.93237
Coulombic:	-36.7507

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	328.359
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.51
LogP (Chemaxon):	3.0

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