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Chemical ID: 4573758

COc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(c(c4)OC)OC)C3=O

Chemical ID:

4573758

Name [?]:

[2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccc(c(c4)OC)OC)C3=O

InChi [?]:

InChI=1/C25H20O7/c1-28-17-7-5-16(6-8-17)25(27)31-18-9-10-19-21(14-18)32-23(24(19)26)13-15-4-11-20(29-2)22(12-15)30-3/h4-14H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,28,22,5,7,4,8,13,14,23,26,20,17,21,6,3,12,15,24,16,25,19,31,9,32,10,2,29,27,11,18/E:(5,6)(7,8)/rA:32nCOCCCCCCCOOCCCCCCOCCCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s15s19;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀O₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.44693
Area:	674.687
Solvation:	-7.42026
Coulombic:	-58.6872

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	432.422
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.61
LogP (Chemaxon):	3.8

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