1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one

C11H12ClFO2 — CID 106677431

IUPAC1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-7-9(13)4-3-8(11)6-10(15)2-1-5-14/h3-4,7,14H,1-2,5-6H2
InChIKeyKBNGBEOCNLOLDD-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one

1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one (PubChem CID 106677431) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
PubChem CID106677431
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
SMILESO=C(CCCO)Cc1ccc(F)cc1Cl
InChIInChI=1S/C11H12ClFO2/c12-11-7-9(13)4-3-8(11)6-10(15)2-1-5-14/h3-4,7,14H,1-2,5-6H2
InChIKeyKBNGBEOCNLOLDD-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671
1-(2-chloro-4-fluorophenyl)-5-methylsulfonylpentan-2-one
CID 55163719
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
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CID 58139151
1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
CID 116578233
1-(2-chloro-3-fluorophenyl)-5-hydroxypentan-2-one
CID 106677607
1-(3-chloro-4-pyridinyl)-5-hydroxypentan-2-one
CID 106677511

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one (CID 106677431) is 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one is O=C(CCCO)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one?
The InChIKey is KBNGBEOCNLOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-11-7-9(13)4-3-8(11)6-10(15)2-1-5-14/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one?
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).