3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid

C15H19ClO3 — CID 117454452

IUPAC3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(C)cc(C)c(Cl)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H19ClO3/c1-8-6-9(2)15(19-3)13(14(8)16)11(7-12(17)18)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyUFJFJXMNOGBKPG-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.93
Rot. Bonds5

About 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid

3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117454452) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
PubChem CID117454452
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(C)cc(C)c(Cl)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H19ClO3/c1-8-6-9(2)15(19-3)13(14(8)16)11(7-12(17)18)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyUFJFJXMNOGBKPG-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425288
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117373940
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484373
3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
3-(6-chloro-4-formyl-2,3-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117497771
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117393615
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid (CID 117454452) is 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid is COc1c(C)cc(C)c(Cl)c1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is UFJFJXMNOGBKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-8-6-9(2)15(19-3)13(14(8)16)11(7-12(17)18)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid?
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 282.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117454452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).