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

C12H15FO2 — CID 103454045

IUPAC1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H15FO2/c1-3-4-11(14)12(15)9-7-8(2)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyXKWVUSYVIPMCRX-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.48
Rot. Bonds4

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

1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one (PubChem CID 103454045) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
PubChem CID103454045
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H15FO2/c1-3-4-11(14)12(15)9-7-8(2)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3
InChIKeyXKWVUSYVIPMCRX-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
2-bromo-1-(2,5-difluorophenyl)pentan-1-one
CID 82254695
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
2-hydroxy-1-[2-methyl-4-(trifluoromethyl)phenyl]pentan-1-one
CID 103454075
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
ethyl 2-(5-chloro-2-fluorobenzoyl)pentanoate
CID 114887658
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one (CID 103454045) is 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one is CCCC(O)C(=O)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one?
The InChIKey is XKWVUSYVIPMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-4-11(14)12(15)9-7-8(2)5-6-10(9)13/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one?
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one has a molecular weight of 210.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one is sourced from PubChem (CID 103454045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).