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Chemical ID: 4734119

Chemical ID:

4734119

Name [?]:

ethyl 2-[4-(3-phenylprop-2-enoyl)phenoxy]acetate

SMILES [?]:

CCOC(=O)COc1ccc(cc1)C(=O)C=Cc2ccccc2

InChi [?]:

InChI=1/C19H18O4/c1-2-22-19(21)14-23-17-11-9-16(10-12-17)18(20)13-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,21,20,22,19,23,17,10,12,9,13,16,6,18,11,8,14,4,15,5,3,7/E:(4,5)(6,7)(9,10)(11,12)/rA:23nCCOCOCOCCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73388
Area:	540.404
Solvation:	-4.77622
Coulombic:	-36.654

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	310.344
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.89
LogP (Chemaxon):	3.68

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