Chemical ID: 7048015

CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4
Chemical ID:
7048015
Name [?]:
[2-[(4-ethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-phenylprop-2-enoate
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C26H20O5/c1-2-29-20-11-8-19(9-12-20)16-24-26(28)22-14-13-21(17-23(22)31-24)30-25(27)15-10-18-6-4-3-5-7-18/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,28,30,27,31,6,8,25,5,9,16,15,24,10,18,26,7,4,17,14,19,11,22,12,23,13,3,21,20/E:(4,5)(6,7)(8,9)(11,12)/rA:31nCCOCCCCCCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20O5
All Atoms:51
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6214
Area:672.543
Solvation:-4.19217
Coulombic:-46.6103
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:412.434
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.74
LogP (Chemaxon):5.24

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Descriptor Annotations

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