ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol

C15H25FO2 — CID 142399478

IUPACethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
SMILESCC.CC(C)c1ccc(OCC(C)(C)O)c(F)c1
InChIInChI=1S/C13H19FO2.C2H6/c1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-2/h5-7,9,15H,8H2,1-4H3;1-2H3
InChIKeyNZMDEEFOIWKXHQ-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.12
Rot. Bonds4

About ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol

ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol (PubChem CID 142399478) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
PubChem CID142399478
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Nameethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
SMILESCC.CC(C)c1ccc(OCC(C)(C)O)c(F)c1
InChIInChI=1S/C13H19FO2.C2H6/c1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-2/h5-7,9,15H,8H2,1-4H3;1-2H3
InChIKeyNZMDEEFOIWKXHQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 70906490
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114492391
2-(2-fluoro-4-propan-2-ylphenoxy)ethoxymethanol
CID 163912251
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
3-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 113389676
1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680037
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol (CID 142399478) is ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol is CC.CC(C)c1ccc(OCC(C)(C)O)c(F)c1.
What is the InChIKey of ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol?
The InChIKey is NZMDEEFOIWKXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2.C2H6/c1-9(2)10-5-6-12(11(14)7-10)16-8-13(3,4)15;1-2/h5-7,9,15H,8H2,1-4H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol?
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol has a molecular weight of 256.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 142399478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).