1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone

C16H14F2O3 — CID 107709229

IUPAC1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CCO)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O3/c17-14-6-3-12(9-15(14)18)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9,19H,7-8,10H2
InChIKeyQMGPFBQYMUZIRI-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.76
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone

1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone (PubChem CID 107709229) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
PubChem CID107709229
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CCO)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O3/c17-14-6-3-12(9-15(14)18)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9,19H,7-8,10H2
InChIKeyQMGPFBQYMUZIRI-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
2-(3,4-difluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43612503
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
CID 60626716
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone (CID 107709229) is 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone is O=C(COc1ccc(CCO)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The InChIKey is QMGPFBQYMUZIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c17-14-6-3-12(9-15(14)18)16(20)10-21-13-4-1-11(2-5-13)7-8-19/h1-6,9,19H,7-8,10H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone has a molecular weight of 292.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone is sourced from PubChem (CID 107709229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).