Chemical ID: 4858295

CCOC1C=C(Oc2c1cccc2)c3ccc(cc3)F
Chemical ID:
4858295
Name [?]:
4-ethoxy-2-(4-fluorophenyl)-4H-chromene
SMILES [?]:
CCOC1C=C(Oc2c1cccc2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H15FO2/c1-2-19-17-11-16(12-7-9-13(18)10-8-12)20-15-6-4-3-5-14(15)17/h3-11,17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,15,19,16,18,5,14,17,9,8,6,4,20,3,7/E:(7,8)(9,10)/rA:20cCCOCCCOCCCCCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;s7;s4s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15FO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.83634
Area:454.131
Solvation:-3.51694
Coulombic:-22.2818
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.298
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):3.29

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Descriptor Annotations

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