3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid

C18H26O3 — CID 117469295

IUPAC3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)c(C)cc1C(C)(C)C
InChIInChI=1S/C18H26O3/c1-11-8-15(18(2,3)4)16(21-5)9-13(11)14(10-17(19)20)12-6-7-12/h8-9,12,14H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyPUYFOYDRVBUVDO-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.27
Rot. Bonds5

About 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid

3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117469295) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID117469295
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cc(C(CC(=O)O)C2CC2)c(C)cc1C(C)(C)C
InChIInChI=1S/C18H26O3/c1-11-8-15(18(2,3)4)16(21-5)9-13(11)14(10-17(19)20)12-6-7-12/h8-9,12,14H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyPUYFOYDRVBUVDO-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic 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-cyclopropyl-3-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]propanoic acid
CID 117495334
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117472174
3-(5-tert-butyl-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 82045643
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117477676
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid (CID 117469295) is 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid is COc1cc(C(CC(=O)O)C2CC2)c(C)cc1C(C)(C)C.
What is the InChIKey of 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is PUYFOYDRVBUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-11-8-15(18(2,3)4)16(21-5)9-13(11)14(10-17(19)20)12-6-7-12/h8-9,12,14H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-5-methoxy-2-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117469295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).