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Chemical ID: 4573659

COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4

Chemical ID:

4573659

Name [?]:

[3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] 3-phenylprop-2-enoate

SMILES [?]:

COc1cc(cc(c1OC)OC)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4

InChi [?]:

InChI=1/C27H22O7/c1-30-23-14-18(15-24(31-2)27(23)32-3)13-22-26(29)20-11-10-19(16-21(20)34-22)33-25(28)12-9-17-7-5-4-6-8-17/h4-16H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,12,10,32,31,33,30,34,28,19,18,27,13,4,6,21,29,5,20,17,22,14,3,7,25,15,8,26,16,2,11,9,24,23/E:(1,2)(5,6)(7,8)(14,15)(23,24)(30,31)/rA:34nCOCCCCCCOCOCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;d25;s25;w27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂O₇
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	9.25368
Area:	677.391
Solvation:	-7.6811
Coulombic:	-59.1664

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	8
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	458.459
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.75
LogP (Chemaxon):	4.39

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