3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid

C12H14F2O3 — CID 117362174

IUPAC3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(CC(C)(C)C(=O)O)c(F)c1F
InChIInChI=1S/C12H14F2O3/c1-12(2,11(15)16)6-7-4-5-8(17-3)10(14)9(7)13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyNWDZMXPOQOSZGZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.63
Rot. Bonds4

About 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid

3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117362174) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117362174
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
SMILESCOc1ccc(CC(C)(C)C(=O)O)c(F)c1F
InChIInChI=1S/C12H14F2O3/c1-12(2,11(15)16)6-7-4-5-8(17-3)10(14)9(7)13/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyNWDZMXPOQOSZGZ-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluoro-3,5-dimethoxyphenyl)-2,2-dimethylpropanoic acid
CID 117438009
3-(5-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406133
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
3-(2-methoxy-5-nitrophenyl)-2,2-dimethylpropanoic acid
CID 62740765
CID 171771032
CID 171771032
3-(2-chloro-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117395239
3-(2-fluoro-5-methoxy-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117353387
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
3-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanoic acid
CID 117444495
3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117302939

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid (CID 117362174) is 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid is COc1ccc(CC(C)(C)C(=O)O)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is NWDZMXPOQOSZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-12(2,11(15)16)6-7-4-5-8(17-3)10(14)9(7)13/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid?
3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 244.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117362174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).