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Chemical ID: 4160828

Chemical ID:

4160828

Name [?]:

(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate

SMILES [?]:

CCOc1ccc(cc1OCC)C=CC(=O)Oc2ccc(cc2)OC

InChi [?]:

InChI=1/C20H22O5/c1-4-23-18-12-6-15(14-19(18)24-5-2)7-13-20(21)25-17-10-8-16(22-3)9-11-17/h6-14H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,12,25,2,11,6,13,20,22,19,23,5,14,8,7,21,18,4,9,15,16,24,3,10,17/E:(8,9)(10,11)/rA:25nCCOCCCCCCOCCCCCOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂O₅
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.6828
Area:	567.058
Solvation:	-6.49365
Coulombic:	-41.0962

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	342.386
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.12
LogP (Chemaxon):	3.79

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