Chemical ID: 4573301

CCc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4
Chemical ID:
4573301
Name [?]:
[2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl] 3-phenylprop-2-enoate
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C26H20O4/c1-2-18-8-10-20(11-9-18)16-24-26(28)22-14-13-21(17-23(22)30-24)29-25(27)15-12-19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,26,30,4,8,5,7,24,15,14,23,9,17,3,25,6,16,13,18,10,21,11,22,12,20,19/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCCCCCCOCCCCCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:C26H20O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1978
Area:620.769
Solvation:-3.32146
Coulombic:-39.4592
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:396.435
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.31
LogP (Chemaxon):6.01

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Descriptor Annotations

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