1-(2-fluoro-5-methylphenoxy)butan-2-ol

C11H15FO2 — CID 64854416

IUPAC1-(2-fluoro-5-methylphenoxy)butan-2-ol
SMILESCCC(O)COc1cc(C)ccc1F
InChIInChI=1S/C11H15FO2/c1-3-9(13)7-14-11-6-8(2)4-5-10(11)12/h4-6,9,13H,3,7H2,1-2H3
InChIKeyYJBAWZLAJOAFGL-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.28
Rot. Bonds4

About 1-(2-fluoro-5-methylphenoxy)butan-2-ol

1-(2-fluoro-5-methylphenoxy)butan-2-ol (PubChem CID 64854416) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenoxy)butan-2-ol
PubChem CID64854416
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-(2-fluoro-5-methylphenoxy)butan-2-ol
SMILESCCC(O)COc1cc(C)ccc1F
InChIInChI=1S/C11H15FO2/c1-3-9(13)7-14-11-6-8(2)4-5-10(11)12/h4-6,9,13H,3,7H2,1-2H3
InChIKeyYJBAWZLAJOAFGL-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
2-(2-bromo-3,3,3-trifluoropropoxy)-1-fluoro-4-methylbenzene
CID 64855013
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
6-(2-fluoro-5-methylphenoxy)hexan-3-amine
CID 106801003

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenoxy)butan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenoxy)butan-2-ol (CID 64854416) is 1-(2-fluoro-5-methylphenoxy)butan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenoxy)butan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenoxy)butan-2-ol is CCC(O)COc1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenoxy)butan-2-ol?
The InChIKey is YJBAWZLAJOAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-3-9(13)7-14-11-6-8(2)4-5-10(11)12/h4-6,9,13H,3,7H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenoxy)butan-2-ol?
1-(2-fluoro-5-methylphenoxy)butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenoxy)butan-2-ol is sourced from PubChem (CID 64854416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).