1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol

C17H25FO3 — CID 135279807

IUPAC1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CC2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FO3/c1-12(2)14-3-4-17(16(18)10-14)21-11-15(19)9-13-5-7-20-8-6-13/h3-4,10,12-13,15,19H,5-9,11H2,1-2H3
InChIKeyLWVDTRADVRVMNG-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.51
Rot. Bonds6

About 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol

1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol (PubChem CID 135279807) has the molecular formula C17H25FO3 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol
PubChem CID135279807
Molecular FormulaC17H25FO3
Molecular Weight296.38 g/mol
Exact Mass296.18
IUPAC Name1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol
SMILESCC(C)c1ccc(OCC(O)CC2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FO3/c1-12(2)14-3-4-17(16(18)10-14)21-11-15(19)9-13-5-7-20-8-6-13/h3-4,10,12-13,15,19H,5-9,11H2,1-2H3
InChIKeyLWVDTRADVRVMNG-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-propan-2-ylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135279938
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
1-cyclopentyl-3-[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]propan-2-ol
CID 103159069
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
CID 103156690
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
1-[4-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanol
CID 106929835

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol (CID 135279807) is 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol is CC(C)c1ccc(OCC(O)CC2CCOCC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol?
The InChIKey is LWVDTRADVRVMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO3/c1-12(2)14-3-4-17(16(18)10-14)21-11-15(19)9-13-5-7-20-8-6-13/h3-4,10,12-13,15,19H,5-9,11H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol?
1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol has a molecular weight of 296.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenoxy)-3-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 135279807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).