1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone

C16H15FO3 — CID 107712874

IUPAC1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1CCO)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c17-14-7-5-12(6-8-14)15(19)11-20-16-4-2-1-3-13(16)9-10-18/h1-8,18H,9-11H2
InChIKeyDXISOCPTSZOCCJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.62
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone

1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone (PubChem CID 107712874) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
PubChem CID107712874
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1CCO)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c17-14-7-5-12(6-8-14)15(19)11-20-16-4-2-1-3-13(16)9-10-18/h1-8,18H,9-11H2
InChIKeyDXISOCPTSZOCCJ-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
1-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712927
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712866
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
1-(2-chlorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712924
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 107714150
3-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 127042745
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936750
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
2-[2-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
CID 1217719

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone (CID 107712874) is 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone is O=C(COc1ccccc1CCO)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
The InChIKey is DXISOCPTSZOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c17-14-7-5-12(6-8-14)15(19)11-20-16-4-2-1-3-13(16)9-10-18/h1-8,18H,9-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone?
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone has a molecular weight of 274.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone is sourced from PubChem (CID 107712874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).