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Chemical ID: 7040174

COc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3c(cccc3OC)OC

Chemical ID:

7040174

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3c(cccc3OC)OC

InChi [?]:

InChI=1/C26H24O7/c1-29-19-12-10-18(11-13-19)20(27)14-8-17-9-15-21(24(16-17)32-4)33-26(28)25-22(30-2)6-5-7-23(25)31-3/h5-16H,1-4H3

InChi Info:

AuxInfo=1/0/N:1,31,33,20,27,28,26,12,14,5,7,4,8,11,15,18,13,6,3,9,16,29,25,17,24,22,10,23,2,30,32,19,21/E:(2,3)(6,7)(10,11)(12,13)(22,23)(30,31)/rA:33nCOCCCCCCCOCCCCCCCCOCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s25;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄O₇
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.97161
Area:	705.963
Solvation:	-8.67747
Coulombic:	-58.0787

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	448.465
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.74
LogP (Chemaxon):	4.23

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

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Chemical Mix	Source	External ID	Descriptor	Value