1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C14H21FO2 — CID 106884137

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc(C)c(C(O)COC(C)(C)C)c(F)c1
InChIInChI=1S/C14H21FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-17-14(3,4)5/h6-7,12,16H,8H2,1-5H3
InChIKeyIHFODOSIAXLFPV-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.29
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 106884137) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID106884137
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc(C)c(C(O)COC(C)(C)C)c(F)c1
InChIInChI=1S/C14H21FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-17-14(3,4)5/h6-7,12,16H,8H2,1-5H3
InChIKeyIHFODOSIAXLFPV-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106884046
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 106884137) is 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc(C)c(C(O)COC(C)(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is IHFODOSIAXLFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-9-6-10(2)13(11(15)7-9)12(16)8-17-14(3,4)5/h6-7,12,16H,8H2,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 240.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 106884137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).