3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid

C15H20O3 — CID 117373932

IUPAC3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
SMILESCCc1cccc(C(CC(=O)O)C2CC2)c1OC
InChIInChI=1S/C15H20O3/c1-3-10-5-4-6-12(15(10)18-2)13(9-14(16)17)11-7-8-11/h4-6,11,13H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyJBQBPQGHIAORDF-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds6

About 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid

3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid (PubChem CID 117373932) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
PubChem CID117373932
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
SMILESCCc1cccc(C(CC(=O)O)C2CC2)c1OC
InChIInChI=1S/C15H20O3/c1-3-10-5-4-6-12(15(10)18-2)13(9-14(16)17)11-7-8-11/h4-6,11,13H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyJBQBPQGHIAORDF-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117469299
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CID 117442474
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254
3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
CID 117107768
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-cyclopropyl-3-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117474847

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid (CID 117373932) is 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid is CCc1cccc(C(CC(=O)O)C2CC2)c1OC.
What is the InChIKey of 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid?
The InChIKey is JBQBPQGHIAORDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-10-5-4-6-12(15(10)18-2)13(9-14(16)17)11-7-8-11/h4-6,11,13H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid?
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).