1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one

C17H17FO3 — CID 107709274

IUPAC1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
SMILESO=C(CCOc1ccc(CCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FO3/c18-15-5-3-14(4-6-15)17(20)10-12-21-16-7-1-13(2-8-16)9-11-19/h1-8,19H,9-12H2
InChIKeyTVUBCWJDZODANQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.01
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one

1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one (PubChem CID 107709274) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
PubChem CID107709274
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
SMILESO=C(CCOc1ccc(CCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FO3/c18-15-5-3-14(4-6-15)17(20)10-12-21-16-7-1-13(2-8-16)9-11-19/h1-8,19H,9-12H2
InChIKeyTVUBCWJDZODANQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
3-(4-butylphenoxy)-1-phenylpropan-1-one
CID 116692186
1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709229
3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 63567261
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one (CID 107709274) is 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one is O=C(CCOc1ccc(CCO)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one?
The InChIKey is TVUBCWJDZODANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-15-5-3-14(4-6-15)17(20)10-12-21-16-7-1-13(2-8-16)9-11-19/h1-8,19H,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one?
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one has a molecular weight of 288.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one is sourced from PubChem (CID 107709274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).