3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol

C10H13FO3 — CID 112612921

IUPAC3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
SMILESOCCCOc1c(F)cccc1CO
InChIInChI=1S/C10H13FO3/c11-9-4-1-3-8(7-13)10(9)14-6-2-5-12/h1,3-4,12-13H,2,5-7H2
InChIKeyJZNQMGYGOYFDKQ-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.08
Rot. Bonds5

About 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol

3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol (PubChem CID 112612921) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
PubChem CID112612921
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
SMILESOCCCOc1c(F)cccc1CO
InChIInChI=1S/C10H13FO3/c11-9-4-1-3-8(7-13)10(9)14-6-2-5-12/h1,3-4,12-13H,2,5-7H2
InChIKeyJZNQMGYGOYFDKQ-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol (CID 112612921) is 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol is OCCCOc1c(F)cccc1CO.
What is the InChIKey of 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol?
The InChIKey is JZNQMGYGOYFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c11-9-4-1-3-8(7-13)10(9)14-6-2-5-12/h1,3-4,12-13H,2,5-7H2.
What are the key properties of 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol?
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol has a molecular weight of 200.21 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 112612921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).