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Chemical ID: 4478126
Chemical ID:
4478126
Name [?]:
phenyl 2-[(4-fluorophenyl)methoxy]benzoate
SMILES [?]:
c1ccc(cc1)OC(=O)c2ccccc2OCc3ccc(cc3)F
InChi [?]:
InChI=1/C20H15FO3/c21-16-12-10-15(11-13-16)14-23-19-9-5-4-8-18(19)20(22)24-17-6-2-1-3-7-17/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,19,23,20,22,17,18,21,4,10,15,8,24,9,16,7/E:(2,3)(6,7)(10,11)(12,13)/rA:24nCCCCCCOCOCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83517 |
Area: | 530.149 |
Solvation: | -4.41854 |
Coulombic: | -33.4378 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.33 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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