ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C12H19FO2 — CID 144982563

IUPACethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC.CC(C)(CO)c1ccc(F)cc1O
InChIInChI=1S/C10H13FO2.C2H6/c1-10(2,6-12)8-4-3-7(11)5-9(8)13;1-2/h3-5,12-13H,6H2,1-2H3;1-2H3
InChIKeyMONBYUVSVZBTRL-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.83
Rot. Bonds2

About ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 144982563) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Nameethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID144982563
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Nameethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC.CC(C)(CO)c1ccc(F)cc1O
InChIInChI=1S/C10H13FO2.C2H6/c1-10(2,6-12)8-4-3-7(11)5-9(8)13;1-2/h3-5,12-13H,6H2,1-2H3;1-2H3
InChIKeyMONBYUVSVZBTRL-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
CID 130673936
4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117287926
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 144982563) is ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC.CC(C)(CO)c1ccc(F)cc1O.
What is the InChIKey of ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is MONBYUVSVZBTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2.C2H6/c1-10(2,6-12)8-4-3-7(11)5-9(8)13;1-2/h3-5,12-13H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 214.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 144982563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).