1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one

C11H12ClFO2 — CID 116920451

IUPAC1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCc1cc(Cl)c(C(=O)C(C)(C)O)cc1F
InChIInChI=1S/C11H12ClFO2/c1-6-4-8(12)7(5-9(6)13)10(14)11(2,3)15/h4-5,15H,1-3H3
InChIKeyJPSNNUPLCJGMRE-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.74
Rot. Bonds2

About 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one

1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 116920451) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
PubChem CID116920451
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
SMILESCc1cc(Cl)c(C(=O)C(C)(C)O)cc1F
InChIInChI=1S/C11H12ClFO2/c1-6-4-8(12)7(5-9(6)13)10(14)11(2,3)15/h4-5,15H,1-3H3
InChIKeyJPSNNUPLCJGMRE-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916425
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)-4-oxobutanoate
CID 116919205
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
1-(2-chloro-4,5-difluorophenyl)-2,2-dimethylbutan-1-one
CID 107475777
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904
2-chloro-5-fluoro-N,4-dimethyl-N-(2-oxopropyl)benzamide
CID 117045039
(3-aminocyclobutyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917803
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
2-(2-chloro-5-fluoro-4-methylbenzoyl)butanenitrile
CID 116923760

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one (CID 116920451) is 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one is Cc1cc(Cl)c(C(=O)C(C)(C)O)cc1F.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is JPSNNUPLCJGMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-6-4-8(12)7(5-9(6)13)10(14)11(2,3)15/h4-5,15H,1-3H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one?
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 230.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 116920451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).