1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol

C13H19FO3 — CID 116751948

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C13H19FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8,12,15H,5H2,1-4H3
InChIKeyLZGBWXAGLKJJAB-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.68
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol

1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 116751948) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID116751948
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C13H19FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8,12,15H,5H2,1-4H3
InChIKeyLZGBWXAGLKJJAB-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
CID 116752532
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752074
1-(5-fluoro-2-methylphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752047
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol (CID 116751948) is 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol is CCC(C)(OC)C(O)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is LZGBWXAGLKJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-5-13(2,17-4)12(15)9-7-6-8-10(16-3)11(9)14/h6-8,12,15H,5H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116751948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).