3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol

C11H15FO3 — CID 107698582

IUPAC3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1ccc(F)cc1CO
InChIInChI=1S/C11H15FO3/c1-7(14)8(2)15-11-4-3-10(12)5-9(11)6-13/h3-5,7-8,13-14H,6H2,1-2H3
InChIKeySUPPYJBMKRIVJT-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.47
Rot. Bonds4

About 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol

3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol (PubChem CID 107698582) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
PubChem CID107698582
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
SMILESCC(O)C(C)Oc1ccc(F)cc1CO
InChIInChI=1S/C11H15FO3/c1-7(14)8(2)15-11-4-3-10(12)5-9(11)6-13/h3-5,7-8,13-14H,6H2,1-2H3
InChIKeySUPPYJBMKRIVJT-UHFFFAOYSA-N
XLogP1.47
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The IUPAC name of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol (CID 107698582) is 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The canonical SMILES for 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol is CC(O)C(C)Oc1ccc(F)cc1CO.
What is the InChIKey of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
The InChIKey is SUPPYJBMKRIVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-7(14)8(2)15-11-4-3-10(12)5-9(11)6-13/h3-5,7-8,13-14H,6H2,1-2H3.
What are the key properties of 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol?
3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 107698582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).