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Chemical ID: 7040015

Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3c(cccc3OC)OC

Chemical ID:

7040015

Name [?]:

[2-methoxy-4-[3-oxo-3-(p-tolyl)prop-1-enyl]-phenyl] 2,6-dimethoxybenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3c(cccc3OC)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,30,32,19,26,27,25,3,7,11,13,4,6,10,14,17,2,12,5,8,15,28,24,16,23,21,9,22,29,31,18,20/E:(2,3)(6,7)(8,9)(12,13)(22,23)(29,30)/rA:32nCCCCCCCCOCCCCCCCCOCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s29;s24;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.87057
Area:	688.863
Solvation:	-7.351
Coulombic:	-51.8002

Bond Count [?]

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

Chemical Properties

Molecular Weight:	432.465
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.26
LogP (Chemaxon):	4.95

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