Chemical ID: 7048394

CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
Chemical ID:
7048394
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-[(2-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
InChi [?]:
InChI=1/C24H19FO4/c1-2-27-21-10-6-4-7-16(21)13-23-24(26)19-12-11-18(14-22(19)29-23)28-15-17-8-3-5-9-20(17)25/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,7,26,6,8,24,27,5,16,15,10,18,22,9,23,17,14,28,4,19,11,12,29,13,3,21,20/rA:29nCCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19FO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9581
Area:618.472
Solvation:-4.5037
Coulombic:-39.2344
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:390.404
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.76
LogP (Chemaxon):5.08

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Descriptor Annotations

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