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Chemical ID: 4401489

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Cl

Chemical ID:

4401489

Name [?]:

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

SMILES [?]:

COc1ccccc1C=CC(=O)c2cc(ccc2OC(=O)c3ccc(c(c3)OC)OC)Cl

InChi [?]:

InChI=1/C25H21ClO6/c1-29-21-7-5-4-6-16(21)8-11-20(27)19-15-18(26)10-13-22(19)32-25(28)17-9-12-23(30-2)24(14-17)31-3/h4-15H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,29,6,5,7,4,9,23,16,10,24,17,27,14,8,22,15,13,11,3,18,25,26,20,32,12,21,2,30,28,19/rA:32nCOCCCCCCCCCOCCCCCCOCOCCCCCCOCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClO₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.19233
Area:	665.798
Solvation:	-7.45263
Coulombic:	-50.2818

Bond Count [?]

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

Chemical Properties

Molecular Weight:	452.883
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.45
LogP (Chemaxon):	5.0

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