Chemical ID: 7048389

COc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
Chemical ID:
7048389
Name [?]:
6-[(2-fluorophenyl)methoxy]-2-[(2-methoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
COc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4F
InChi [?]:
InChI=1/C23H17FO4/c1-26-20-9-5-3-6-15(20)12-22-23(25)18-11-10-17(13-21(18)28-22)27-14-16-7-2-4-8-19(16)24/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,6,25,5,7,23,26,4,15,14,9,17,21,8,22,16,13,27,3,18,10,11,28,12,2,20,19/rA:28nCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s16;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FO4
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2123
Area:592.342
Solvation:-4.59621
Coulombic:-38.967
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:376.377
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.33
LogP (Chemaxon):4.74

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