3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid

C15H19ClO4 — CID 117481176

IUPAC3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(Cl)cc(C(CC(=O)O)C2CC2)c(C)c1OC
InChIInChI=1S/C15H19ClO4/c1-8-10(11(7-13(17)18)9-4-5-9)6-12(16)15(20-3)14(8)19-2/h6,9,11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyZZOWBFGJQCFOFV-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.63
Rot. Bonds6

About 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid

3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117481176) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID117481176
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(Cl)cc(C(CC(=O)O)C2CC2)c(C)c1OC
InChIInChI=1S/C15H19ClO4/c1-8-10(11(7-13(17)18)9-4-5-9)6-12(16)15(20-3)14(8)19-2/h6,9,11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyZZOWBFGJQCFOFV-UHFFFAOYSA-N
XLogP3.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-3,4-dimethoxy-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-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
CID 117454452
3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425288
3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid (CID 117481176) is 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid is COc1c(Cl)cc(C(CC(=O)O)C2CC2)c(C)c1OC.
What is the InChIKey of 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is ZZOWBFGJQCFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-8-10(11(7-13(17)18)9-4-5-9)6-12(16)15(20-3)14(8)19-2/h6,9,11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid?
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117481176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).