1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol

C12H17FO2 — CID 116752073

IUPAC1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1ccc(F)cc1
InChIInChI=1S/C12H17FO2/c1-4-12(2,15-3)11(14)9-5-7-10(13)8-6-9/h5-8,11,14H,4H2,1-3H3
InChIKeyIFAOWUMZBMTILY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol

1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 116752073) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID116752073
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1ccc(F)cc1
InChIInChI=1S/C12H17FO2/c1-4-12(2,15-3)11(14)9-5-7-10(13)8-6-9/h5-8,11,14H,4H2,1-3H3
InChIKeyIFAOWUMZBMTILY-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047
1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751889
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
CID 130561742
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
CID 105274791
ethoxy-[(4-fluorophenyl)-hydroxymethyl]phosphinic acid
CID 11042650
2-bromo-1-(4-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550506
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol (CID 116752073) is 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol is CCC(C)(OC)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is IFAOWUMZBMTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-12(2,15-3)11(14)9-5-7-10(13)8-6-9/h5-8,11,14H,4H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol?
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116752073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).