Chemical ID: 7048461

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccccc4
Chemical ID:
7048461
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-phenacyloxy-benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCC(=O)c4ccccc4
InChi [?]:
InChI=1/C25H20O5/c1-2-28-22-11-7-6-10-18(22)14-24-25(27)20-13-12-19(15-23(20)30-24)29-16-21(26)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,7,6,26,30,8,5,16,15,10,18,22,25,9,17,14,23,4,19,11,12,24,13,3,21,20/E:(4,5)(8,9)/rA:30nCCOCCCCCCCCCOCCCCCCOOCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20O5
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.047
Area:648.262
Solvation:-6.15958
Coulombic:-41.9015
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:400.423
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.21
LogP (Chemaxon):4.23

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Descriptor Annotations

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