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

C13H19FO3 — CID 114228818

IUPAC1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)COc1cccc(C)c1F
InChIInChI=1S/C13H19FO3/c1-9-6-5-7-10(12(9)14)17-8-11(15)13(2,3)16-4/h5-7,11,15H,8H2,1-4H3
InChIKeyXWPFWYSFBLWHKE-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.30
Rot. Bonds5

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

1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol (PubChem CID 114228818) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
PubChem CID114228818
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)COc1cccc(C)c1F
InChIInChI=1S/C13H19FO3/c1-9-6-5-7-10(12(9)14)17-8-11(15)13(2,3)16-4/h5-7,11,15H,8H2,1-4H3
InChIKeyXWPFWYSFBLWHKE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
1-(3,5-difluorophenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228810
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(2-fluoro-3-methylphenoxy)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 110017824
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
6-(2-fluoro-3-methylphenoxy)hexan-2-ol
CID 107660302

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol (CID 114228818) is 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is XWPFWYSFBLWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-9-6-5-7-10(12(9)14)17-8-11(15)13(2,3)16-4/h5-7,11,15H,8H2,1-4H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol?
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 242.29 g/mol, XLogP of 2.30, 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-methylphenoxy)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 114228818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).