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Chemical ID: 6854637

CCOc1ccc(cc1OCC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3

Chemical ID:

6854637

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1OCC)C=CC(=O)Oc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C26H26O5/c1-3-28-24-16-10-20(18-25(24)29-4-2)11-17-26(27)31-23-14-12-22(13-15-23)30-19-21-8-6-5-7-9-21/h5-18H,3-4,19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,2,11,29,28,30,27,31,6,13,20,22,19,23,5,14,8,25,7,26,21,18,4,9,15,16,3,10,24,17/E:(6,7)(8,9)(12,13)(14,15)/rA:31nCCOCCCCCCOCCCCCOOCCCCCCOCCCCCCC/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;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆O₅
All Atoms:	57
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.242
Area:	684.101
Solvation:	-6.86055
Coulombic:	-43.1828

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	418.482
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.83
LogP (Chemaxon):	5.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value