3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid

C17H24O4 — CID 117472178

IUPAC3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H24O4/c1-10(2)12-7-16(21-4)14(8-15(12)20-3)13(9-17(18)19)11-5-6-11/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyQZRQKLBUIGPDDV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.80
Rot. Bonds7

About 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid

3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid (PubChem CID 117472178) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
PubChem CID117472178
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H24O4/c1-10(2)12-7-16(21-4)14(8-15(12)20-3)13(9-17(18)19)11-5-6-11/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyQZRQKLBUIGPDDV-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-cyclopropyl-3-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]propanoic acid
CID 117495334
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429787
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid (CID 117472178) is 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid is COc1cc(C(CC(=O)O)C2CC2)c(OC)cc1C(C)C.
What is the InChIKey of 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid?
The InChIKey is QZRQKLBUIGPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-10(2)12-7-16(21-4)14(8-15(12)20-3)13(9-17(18)19)11-5-6-11/h7-8,10-11,13H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid?
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117472178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).