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Chemical ID: 7040010

CCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

Chemical ID:

7040010

Name [?]:

[4-[3-(4-ethoxyphenyl)prop-2-enoyl]phenyl] 3,4-dimethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C26H24O6/c1-4-31-21-11-5-18(6-12-21)7-15-23(27)19-8-13-22(14-9-19)32-26(28)20-10-16-24(29-2)25(17-20)30-3/h5-17H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,32,30,2,6,8,10,15,19,24,5,9,16,18,11,25,28,7,14,23,4,17,12,26,27,21,13,22,31,29,3,20/E:(5,6)(8,9)(11,12)(13,14)/rA:32nCCOCCCCCCCCCOCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄O₆
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2196
Area:	708.964
Solvation:	-7.50446
Coulombic:	-50.8565

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	432.465
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.25
LogP (Chemaxon):	4.83

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

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

Chemical Mix	Source	External ID	Descriptor	Value