2-(5-fluoro-2-methylphenoxy)pentan-3-ol

C12H17FO2 — CID 102983322

IUPAC2-(5-fluoro-2-methylphenoxy)pentan-3-ol
SMILESCCC(O)C(C)Oc1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-4-11(14)9(3)15-12-7-10(13)6-5-8(12)2/h5-7,9,11,14H,4H2,1-3H3
InChIKeyBJKCJGPFIMTLQG-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.67
Rot. Bonds4

About 2-(5-fluoro-2-methylphenoxy)pentan-3-ol

2-(5-fluoro-2-methylphenoxy)pentan-3-ol (PubChem CID 102983322) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)pentan-3-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)pentan-3-ol
PubChem CID102983322
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-(5-fluoro-2-methylphenoxy)pentan-3-ol
SMILESCCC(O)C(C)Oc1cc(F)ccc1C
InChIInChI=1S/C12H17FO2/c1-4-11(14)9(3)15-12-7-10(13)6-5-8(12)2/h5-7,9,11,14H,4H2,1-3H3
InChIKeyBJKCJGPFIMTLQG-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
2-(5-fluoro-2-methylphenoxy)-1-phenylpropan-1-ol
CID 102983363
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
CID 102981138
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698582

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)pentan-3-ol?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)pentan-3-ol (CID 102983322) is 2-(5-fluoro-2-methylphenoxy)pentan-3-ol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)pentan-3-ol?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)pentan-3-ol is CCC(O)C(C)Oc1cc(F)ccc1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)pentan-3-ol?
The InChIKey is BJKCJGPFIMTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-4-11(14)9(3)15-12-7-10(13)6-5-8(12)2/h5-7,9,11,14H,4H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)pentan-3-ol?
2-(5-fluoro-2-methylphenoxy)pentan-3-ol has a molecular weight of 212.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)pentan-3-ol is sourced from PubChem (CID 102983322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).