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Chemical ID: 4254017
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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Experimental Annotations
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Descriptor Annotations
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