5-(2-fluoro-4-methoxyphenyl)-2-propyloxane

C15H21FO2 — CID 144733899

IUPAC5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(OC)cc2F)CO1
InChIInChI=1S/C15H21FO2/c1-3-4-12-6-5-11(10-18-12)14-8-7-13(17-2)9-15(14)16/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyASFIZSFTQYTKJI-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.90
Rot. Bonds4

About 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane

5-(2-fluoro-4-methoxyphenyl)-2-propyloxane (PubChem CID 144733899) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
PubChem CID144733899
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(OC)cc2F)CO1
InChIInChI=1S/C15H21FO2/c1-3-4-12-6-5-11(10-18-12)14-8-7-13(17-2)9-15(14)16/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyASFIZSFTQYTKJI-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-pentyloxane
CID 126765182
[3-fluoro-4-(6-propyloxan-3-yl)phenyl] 5-fluoro-5-propyl-1,3-dioxane-2-carboxylate
CID 118594022
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
CID 20581932
2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869390
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 118603335
5-[4-(4-butoxy-2,3-difluorophenyl)-2-fluorophenyl]-2-(2-methoxyethyl)oxane
CID 126764693
5-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535782
5-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-2-ethoxyoxane
CID 126765141
2-[1,2-difluoro-2-[3-fluoro-4-(6-propyloxan-3-yl)phenyl]ethenyl]-5-fluoro-5-propyl-1,3-dioxane
CID 123910749

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane (CID 144733899) is 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane is CCCC1CCC(c2ccc(OC)cc2F)CO1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane?
The InChIKey is ASFIZSFTQYTKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-4-12-6-5-11(10-18-12)14-8-7-13(17-2)9-15(14)16/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane?
5-(2-fluoro-4-methoxyphenyl)-2-propyloxane has a molecular weight of 252.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-2-propyloxane is sourced from PubChem (CID 144733899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).