3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid

C18H26O3 — CID 117469302

IUPAC3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(OC)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C18H26O3/c1-4-12(5-2)14-8-9-17(21-3)16(10-14)15(11-18(19)20)13-6-7-13/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyUZBWXEYUBKUHFI-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.57
Rot. Bonds8

About 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid

3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid (PubChem CID 117469302) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
PubChem CID117469302
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(OC)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C18H26O3/c1-4-12(5-2)14-8-9-17(21-3)16(10-14)15(11-18(19)20)13-6-7-13/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyUZBWXEYUBKUHFI-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676
3-cyclopropyl-3-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117474847
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid (CID 117469302) is 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid is CCC(CC)c1ccc(OC)c(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The InChIKey is UZBWXEYUBKUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-12(5-2)14-8-9-17(21-3)16(10-14)15(11-18(19)20)13-6-7-13/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.57, 8 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-5-pentan-3-ylphenyl)propanoic acid is sourced from PubChem (CID 117469302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).