4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one

C18H19FO3 — CID 110885738

IUPAC4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FO3/c1-13(20)6-7-14-8-10-15(11-9-14)22-12-18(21)16-4-2-3-5-17(16)19/h2-5,8-11,18,21H,6-7,12H2,1H3
InChIKeyHNTJZBLPGXWSFZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.46
Rot. Bonds7

About 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one

4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one (PubChem CID 110885738) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
PubChem CID110885738
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Name4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FO3/c1-13(20)6-7-14-8-10-15(11-9-14)22-12-18(21)16-4-2-3-5-17(16)19/h2-5,8-11,18,21H,6-7,12H2,1H3
InChIKeyHNTJZBLPGXWSFZ-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2,6-difluorophenyl)methoxy]phenyl]butan-2-one
CID 103990814
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
CID 86645072
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
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CID 110885745
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
CID 62549968
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-dipropylazanium
CID 2093135
ethyl 3-[4-[(2R)-2-(cyclodecapentaenyl)-2-hydroxyethoxy]phenyl]propanoate
CID 144781228
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one
CID 51283428

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one (CID 110885738) is 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCC(O)c2ccccc2F)cc1.
What is the InChIKey of 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one?
The InChIKey is HNTJZBLPGXWSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-13(20)6-7-14-8-10-15(11-9-14)22-12-18(21)16-4-2-3-5-17(16)19/h2-5,8-11,18,21H,6-7,12H2,1H3.
What are the key properties of 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one?
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one has a molecular weight of 302.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one is sourced from PubChem (CID 110885738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).