1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one

C11H12ClFO2 — CID 84694021

IUPAC1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
SMILESCOc1c(Cl)cc(F)c(C)c1CC(C)=O
InChIInChI=1S/C11H12ClFO2/c1-6(14)4-8-7(2)10(13)5-9(12)11(8)15-3/h5H,4H2,1-3H3
InChIKeyRCIWMBQCOSFJCU-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.93
Rot. Bonds3

About 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one

1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one (PubChem CID 84694021) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
PubChem CID84694021
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
SMILESCOc1c(Cl)cc(F)c(C)c1CC(C)=O
InChIInChI=1S/C11H12ClFO2/c1-6(14)4-8-7(2)10(13)5-9(12)11(8)15-3/h5H,4H2,1-3H3
InChIKeyRCIWMBQCOSFJCU-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439277
1-(5-chloro-3-hydroxy-2-methoxy-6-methylphenyl)propan-2-one
CID 117329472
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
CID 84797165
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117400321
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one (CID 84694021) is 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one is COc1c(Cl)cc(F)c(C)c1CC(C)=O.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one?
The InChIKey is RCIWMBQCOSFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-6(14)4-8-7(2)10(13)5-9(12)11(8)15-3/h5H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one?
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one has a molecular weight of 230.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one is sourced from PubChem (CID 84694021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).