3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid

C12H14ClFO2 — CID 84802694

IUPAC3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1c(F)cc(Cl)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C12H14ClFO2/c1-6(12(15)16)4-9-7(2)10(13)5-11(14)8(9)3/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyYJLZTZOAQQXWKD-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.36
Rot. Bonds3

About 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid

3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid (PubChem CID 84802694) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid
PubChem CID84802694
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid
SMILESCc1c(F)cc(Cl)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C12H14ClFO2/c1-6(12(15)16)4-9-7(2)10(13)5-11(14)8(9)3/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyYJLZTZOAQQXWKD-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
3-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 79131283
3-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112855
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
3-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117490391
3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid
CID 84679936
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 84696203
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid (CID 84802694) is 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid is Cc1c(F)cc(Cl)c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid?
The InChIKey is YJLZTZOAQQXWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-6(12(15)16)4-9-7(2)10(13)5-11(14)8(9)3/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid?
3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid has a molecular weight of 244.69 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84802694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).