1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one

C12H15FO2 — CID 106677668

IUPAC1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
SMILESCc1ccc(F)cc1CC(=O)CCCO
InChIInChI=1S/C12H15FO2/c1-9-4-5-11(13)7-10(9)8-12(15)3-2-6-14/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyKVHURKLBDAFIQI-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.02
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one

1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one (PubChem CID 106677668) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
PubChem CID106677668
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
SMILESCc1ccc(F)cc1CC(=O)CCCO
InChIInChI=1S/C12H15FO2/c1-9-4-5-11(13)7-10(9)8-12(15)3-2-6-14/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyKVHURKLBDAFIQI-UHFFFAOYSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376676
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192
1-(5-fluoro-2-methylphenyl)but-3-en-2-one
CID 103453632
4-(dimethylamino)-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347338
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one (CID 106677668) is 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one is Cc1ccc(F)cc1CC(=O)CCCO.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one?
The InChIKey is KVHURKLBDAFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-9-4-5-11(13)7-10(9)8-12(15)3-2-6-14/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one?
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).