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Chemical ID: 4371527

Chemical ID:

4371527

Name [?]:

3-allyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzaldehyde

SMILES [?]:

CCOc1cc(cc(c1OCc2ccc(cc2)F)CC=C)C=O

InChi [?]:

InChI=1/C19H19FO3/c1-3-5-16-10-15(12-21)11-18(22-4-2)19(16)23-13-14-6-8-17(20)9-7-14/h3,6-12H,1,4-5,13H2,2H3

InChi Info:

AuxInfo=1/0/N:21,1,20,2,19,13,17,14,16,7,5,22,11,12,6,8,15,4,9,18,23,3,10/E:(6,7)(8,9)/rA:23nCCOCCCCCCOCCCCCCCFCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s8;s19;d20;s6;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉FO₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.69877
Area:	535.036
Solvation:	-5.67712
Coulombic:	-28.7024

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	314.351
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.66
LogP (Chemaxon):	4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value