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Chemical ID: 7513044

Chemical ID:

7513044

Name [?]:

1-[3-(4-fluorophenoxy)propoxy]-4-methoxy-benzene

SMILES [?]:

COc1ccc(cc1)OCCCOc2ccc(cc2)F

InChi [?]:

InChI=1/C16H17FO3/c1-18-14-7-9-16(10-8-14)20-12-2-11-19-15-5-3-13(17)4-6-15/h3-10H,2,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,11,16,18,15,19,4,8,5,7,12,10,17,3,14,6,20,2,13,9/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCCCCCOCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇FO₃
All Atoms:	37
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	6.50331
Area:	485.726
Solvation:	-5.63984
Coulombic:	-26.0006

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.1
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value