ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol

C13H21FO2 — CID 145227313

IUPACethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
SMILESCC.Cc1ccc(OCC(C)(C)O)c(F)c1
InChIInChI=1S/C11H15FO2.C2H6/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13;1-2/h4-6,13H,7H2,1-3H3;1-2H3
InChIKeyGVLKTSNAROUBTG-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.31
Rot. Bonds3

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

ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol (PubChem CID 145227313) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
PubChem CID145227313
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Nameethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
SMILESCC.Cc1ccc(OCC(C)(C)O)c(F)c1
InChIInChI=1S/C11H15FO2.C2H6/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13;1-2/h4-6,13H,7H2,1-3H3;1-2H3
InChIKeyGVLKTSNAROUBTG-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenoxy)-2-methylpropan-2-ol
CID 60878410
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
2-(2-fluoro-4-methylphenoxy)ethanesulfonic acid
CID 21333677
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818
2-fluoro-4-methyl-1-propoxybenzene;2,2,2-trifluoroacetate
CID 54317082

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol?
The IUPAC name of ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol (CID 145227313) is ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol?
The canonical SMILES for ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol is CC.Cc1ccc(OCC(C)(C)O)c(F)c1.
What is the InChIKey of ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol?
The InChIKey is GVLKTSNAROUBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2.C2H6/c1-8-4-5-10(9(12)6-8)14-7-11(2,3)13;1-2/h4-6,13H,7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol?
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol has a molecular weight of 228.31 g/mol, XLogP of 3.31, 3 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-methylphenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 145227313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).