1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol

C13H19FO2 — CID 107660344

IUPAC1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
SMILESCCC(C)C(O)COc1cccc(C)c1F
InChIInChI=1S/C13H19FO2/c1-4-9(2)11(15)8-16-12-7-5-6-10(3)13(12)14/h5-7,9,11,15H,4,8H2,1-3H3
InChIKeyWLGRRMYXYZRALR-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol

1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol (PubChem CID 107660344) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
PubChem CID107660344
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
SMILESCCC(C)C(O)COc1cccc(C)c1F
InChIInChI=1S/C13H19FO2/c1-4-9(2)11(15)8-16-12-7-5-6-10(3)13(12)14/h5-7,9,11,15H,4,8H2,1-3H3
InChIKeyWLGRRMYXYZRALR-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 104853711
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2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
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1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
6-(2-fluoro-3-methylphenoxy)hexan-2-ol
CID 107660302
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol (CID 107660344) is 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol is CCC(C)C(O)COc1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol?
The InChIKey is WLGRRMYXYZRALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-4-9(2)11(15)8-16-12-7-5-6-10(3)13(12)14/h5-7,9,11,15H,4,8H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol?
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol is sourced from PubChem (CID 107660344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).