Chemical ID: 4254017

COc1ccc(cc1OCc2ccc(cc2)F)C=O
Chemical ID:
4254017
Name [?]:
3-[(4-fluorophenyl)methoxy]-4-methoxy-benzaldehyde
SMILES [?]:
COc1ccc(cc1OCc2ccc(cc2)F)C=O
InChi [?]:
InChI=1/C15H13FO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,5,13,15,4,7,18,10,11,6,14,3,8,17,19,2,9/E:(2,3)(5,6)/rA:19nCOCCCCCCOCCCCCCCFCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s6;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13FO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.5953
Area:451.992
Solvation:-6.70448
Coulombic:-25.4814
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.26
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.15
LogP (Chemaxon):3.13

Name Annotations

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Descriptor Annotations

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