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Chemical ID: 7085518

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

Chemical ID:

7085518

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C25H22O5/c1-17-4-6-18(7-5-17)8-14-22(26)19-9-12-21(13-10-19)30-25(27)20-11-15-23(28-2)24(16-20)29-3/h4-16H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,28,3,7,4,6,8,13,17,22,14,16,9,23,26,2,5,12,21,15,10,24,25,19,11,20,29,27,18/E:(4,5)(6,7)(9,10)(12,13)/rA:30nCCCCCCCCCCOCCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂O₅
All Atoms:	52
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3783
Area:	666.063
Solvation:	-6.27324
Coulombic:	-44.1567

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	402.439
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.35
LogP (Chemaxon):	5.2

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