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Chemical ID: 4571867

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4

Chemical ID:

4571867

Name [?]:

[2-[(3-methoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-phenylprop-2-enoate

SMILES [?]:

COc1cccc(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4

InChi [?]:

InChI=1/C25H18O5/c1-28-19-9-5-8-18(14-19)15-23-25(27)21-12-11-20(16-22(21)30-23)29-24(26)13-10-17-6-3-2-4-7-17/h2-16H,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,5,26,30,6,4,24,15,14,23,8,9,17,25,7,3,16,13,18,10,21,11,22,12,2,20,19/E:(3,4)(6,7)/rA:30nCOCCCCCCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;d21;s21;w23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6992
Area:	610.995
Solvation:	-4.57569
Coulombic:	-45.6737

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	398.407
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.32
LogP (Chemaxon):	4.9

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