3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid

C15H20O3 — CID 117373940

IUPAC3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
SMILESCOc1c(C)ccc(C)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H20O3/c1-9-4-5-10(2)15(18-3)14(9)12(8-13(16)17)11-6-7-11/h4-5,11-12H,6-8H2,1-3H3,(H,16,17)
InChIKeyZCKYXZJSHYAELJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.28
Rot. Bonds5

About 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid

3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid (PubChem CID 117373940) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
PubChem CID117373940
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
SMILESCOc1c(C)ccc(C)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C15H20O3/c1-9-4-5-10(2)15(18-3)14(9)12(8-13(16)17)11-6-7-11/h4-5,11-12H,6-8H2,1-3H3,(H,16,17)
InChIKeyZCKYXZJSHYAELJ-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425288
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
CID 117454452
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
CID 117469299
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-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid (CID 117373940) is 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid is COc1c(C)ccc(C)c1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid?
The InChIKey is ZCKYXZJSHYAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9-4-5-10(2)15(18-3)14(9)12(8-13(16)17)11-6-7-11/h4-5,11-12H,6-8H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid?
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid is sourced from PubChem (CID 117373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).