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Chemical ID: 4575496

COc1ccc(c(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)C=C

Chemical ID:

4575496

Name [?]:

2-[(2,3,4-trimethoxyphenyl)methylene]-6-[(4-vinylphenyl)methoxy]benzofuran-3-one

SMILES [?]:

COc1ccc(c(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)C=C

InChi [?]:

InChI=1/C27H24O6/c1-5-17-6-8-18(9-7-17)16-32-20-11-12-21-23(15-20)33-24(25(21)28)14-19-10-13-22(29-2)27(31-4)26(19)30-3/h5-15H,1,16H2,2-4H3

InChi Info:

AuxInfo=1/0/N:33,1,12,10,32,28,30,27,31,5,19,18,4,13,21,25,29,26,6,20,17,3,22,14,15,7,8,16,2,11,9,24,23/E:(6,7)(8,9)/rA:33nCOCCCCCCOCOCCCCOCCCCCCOOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;s26;d27;s28;d29;d26s30;s29;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1298
Area:	688.931
Solvation:	-7.09349
Coulombic:	-50.3448

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	444.476
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.54
LogP (Chemaxon):	4.75

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