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Chemical ID: 7048522

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccc(cc4)OC

Chemical ID:

7048522

Name [?]:

2-[(2-ethoxyphenyl)methylene]-6-[2-(4-methoxyphenyl)-2-oxo-ethoxy]-benzofuran-3-one

SMILES [?]:

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccc(cc4)OC

InChi [?]:

InChI=1/C26H22O6/c1-3-30-23-7-5-4-6-18(23)14-25-26(28)21-13-12-20(15-24(21)32-25)31-16-22(27)17-8-10-19(29-2)11-9-17/h4-15H,3,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,2,7,6,8,5,26,30,27,29,16,15,10,18,22,25,9,28,17,14,23,4,19,11,12,24,13,31,3,21,20/E:(8,9)(10,11)/rA:32nCCOCCCCCCCCCOCCCCCCOOCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂O₆
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.62769
Area:	685.907
Solvation:	-7.52
Coulombic:	-47.9321

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	430.449
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.12
LogP (Chemaxon):	3.98

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