Chemical ID: 4478126

c1ccc(cc1)OC(=O)c2ccccc2OCc3ccc(cc3)F
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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