1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol

C13H19FO2 — CID 116752047

IUPAC1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FO2/c1-5-13(3,16-4)12(15)11-8-10(14)7-6-9(11)2/h6-8,12,15H,5H2,1-4H3
InChIKeyJGUYOSOOWPWHJQ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.98
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol

1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 116752047) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID116752047
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cc(F)ccc1C
InChIInChI=1S/C13H19FO2/c1-5-13(3,16-4)12(15)11-8-10(14)7-6-9(11)2/h6-8,12,15H,5H2,1-4H3
InChIKeyJGUYOSOOWPWHJQ-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methylbutane-1,2-diol
CID 103448709
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
CID 63414401
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
CID 116751826
1-(5-fluoro-2-methylphenyl)-2-methoxypentan-1-ol
CID 116711696
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
[1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol (CID 116752047) is 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol is CCC(C)(OC)C(O)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is JGUYOSOOWPWHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-5-13(3,16-4)12(15)11-8-10(14)7-6-9(11)2/h6-8,12,15H,5H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol?
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116752047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).