1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol

C11H15FO3 — CID 107698659

IUPAC1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(F)cc1CO
InChIInChI=1S/C11H15FO3/c1-2-10(14)7-15-11-4-3-9(12)5-8(11)6-13/h3-5,10,13-14H,2,6-7H2,1H3
InChIKeyQVBRWCRELFYNGX-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol

1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol (PubChem CID 107698659) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
PubChem CID107698659
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(F)cc1CO
InChIInChI=1S/C11H15FO3/c1-2-10(14)7-15-11-4-3-9(12)5-8(11)6-13/h3-5,10,13-14H,2,6-7H2,1H3
InChIKeyQVBRWCRELFYNGX-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 107695240
2-(bromomethyl)-1-(2-ethylbutoxy)-4-fluorobenzene
CID 107699131
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698582
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
1-[2-(aminomethyl)-4-fluorophenoxy]-3-butoxypropan-2-ol
CID 107694736
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The IUPAC name of 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol (CID 107698659) is 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol is CCC(O)COc1ccc(F)cc1CO.
What is the InChIKey of 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The InChIKey is QVBRWCRELFYNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-2-10(14)7-15-11-4-3-9(12)5-8(11)6-13/h3-5,10,13-14H,2,6-7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 107698659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).