2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol

C16H16ClFO2 — CID 54436869

IUPAC2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3
InChIKeyWLIQACFNJDEYNY-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.70
Rot. Bonds5

About 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol

2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol (PubChem CID 54436869) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol.

Molecular Properties

Compound Name2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
PubChem CID54436869
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol
SMILESCC(O)(CCF)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3
InChIKeyWLIQACFNJDEYNY-UHFFFAOYSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
CID 21396558
2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
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3-[4-(2,4-dichlorophenoxy)phenyl]butane-1,3-diol
CID 21322564
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
1-(3-chlorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 62788302
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
1-chloro-3-[3-[4-[4-(difluoromethoxy)phenyl]-4-methylhexyl]phenoxy]benzene
CID 21269645
3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 173147350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol?
The IUPAC name of 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol (CID 54436869) is 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol.
What is the SMILES notation for 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol?
The canonical SMILES for 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol is CC(O)(CCF)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol?
The InChIKey is WLIQACFNJDEYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-16(19,9-10-18)12-5-7-14(8-6-12)20-15-4-2-3-13(17)11-15/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol?
2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol has a molecular weight of 294.75 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenoxy)phenyl]-4-fluorobutan-2-ol is sourced from PubChem (CID 54436869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).