4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one

C10H10ClFO2 — CID 57127771

IUPAC4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one
SMILESO=C(CCCl)Cc1ccc(F)cc1O
InChIInChI=1S/C10H10ClFO2/c11-4-3-9(13)5-7-1-2-8(12)6-10(7)14/h1-2,6,14H,3-5H2
InChIKeyIUKQEXUFLOTVFN-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.27
Rot. Bonds4

About 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one

4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one (PubChem CID 57127771) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one
PubChem CID57127771
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one
SMILESO=C(CCCl)Cc1ccc(F)cc1O
InChIInChI=1S/C10H10ClFO2/c11-4-3-9(13)5-7-1-2-8(12)6-10(7)14/h1-2,6,14H,3-5H2
InChIKeyIUKQEXUFLOTVFN-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-fluorophenyl)-4-chlorobutan-2-one
CID 70088717
1-bromo-3-(4-fluoro-2-hydroxyphenyl)propan-2-one
CID 130852101
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(2-amino-4-fluorophenyl)-3-chloropropan-2-one
CID 130837810
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237
propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
CID 166658006
3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
1-chloro-3-(2-hydroxy-4-methylphenyl)propan-2-one
CID 130895679
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
4-chloro-N-[3-(2,4-difluorophenyl)-2-oxopropyl]butanamide
CID 58478304
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one?
The IUPAC name of 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one (CID 57127771) is 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one.
What is the SMILES notation for 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one?
The canonical SMILES for 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one is O=C(CCCl)Cc1ccc(F)cc1O.
What is the InChIKey of 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one?
The InChIKey is IUKQEXUFLOTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-4-3-9(13)5-7-1-2-8(12)6-10(7)14/h1-2,6,14H,3-5H2.
What are the key properties of 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one?
4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one has a molecular weight of 216.64 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluoro-2-hydroxyphenyl)butan-2-one is sourced from PubChem (CID 57127771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).