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Chemical ID: 5789293

Chemical ID:

5789293

Name [?]:

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

SMILES [?]:

COc1cc(c(c(c1)OC)C(=O)C=Cc2ccccc2)OC

InChi [?]:

InChI=1/C18H18O4/c1-20-14-11-16(21-2)18(17(12-14)22-3)15(19)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,10,22,18,17,19,16,20,14,13,8,4,15,3,11,7,5,6,12,2,9,21/E:(2,3)(5,6)(7,8)(11,12)(16,17)(21,22)/rA:22nCOCCCCCCOCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.16631
Area:	479.831
Solvation:	-5.82945
Coulombic:	-30.2444

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	298.333
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.59
LogP (Chemaxon):	3.25

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