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Chemical ID: 7048410
Chemical ID:
7048410
Name [?]:
2-benzylidene-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C22H15FO3/c23-17-8-6-16(7-9-17)14-25-18-10-11-19-20(13-18)26-21(22(19)24)12-15-4-2-1-3-5-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,22,24,13,12,7,15,19,4,20,23,14,11,16,8,9,26,10,18,17/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15FO3 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.71369 |
Area: | 560.544 |
Solvation: | -4.2999 |
Coulombic: | -31.3085 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.351 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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