Chemical ID: 4122999

CCOc1cc(ccc1OCc2ccccc2F)C=O
Chemical ID:
4122999
Name [?]:
3-ethoxy-4-[(2-fluorophenyl)methoxy]benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2F)C=O
InChi [?]:
InChI=1/C16H15FO3/c1-2-19-16-9-12(10-18)7-8-15(16)20-11-13-5-3-4-6-14(13)17/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,7,8,5,19,11,6,12,17,9,4,18,20,3,10/rA:20nCCOCCCCCCOCCCCCCCFCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15FO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.20233
Area:475.467
Solvation:-5.68435
Coulombic:-26.8603
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.287
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):3.48

Name Annotations

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Descriptor Annotations

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