3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid

C15H20O4 — CID 117415167

IUPAC3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CC2)c(C)c1OC
InChIInChI=1S/C15H20O4/c1-9-11(6-7-13(18-2)15(9)19-3)12(8-14(16)17)10-4-5-10/h6-7,10,12H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyKSBMCSAYGOHUDM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.98
Rot. Bonds6

About 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid

3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid (PubChem CID 117415167) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
PubChem CID117415167
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)C2CC2)c(C)c1OC
InChIInChI=1S/C15H20O4/c1-9-11(6-7-13(18-2)15(9)19-3)12(8-14(16)17)10-4-5-10/h6-7,10,12H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyKSBMCSAYGOHUDM-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclopropyl-3-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117474847
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-amino-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117350574
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
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-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid (CID 117415167) is 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid is COc1ccc(C(CC(=O)O)C2CC2)c(C)c1OC.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid?
The InChIKey is KSBMCSAYGOHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-11(6-7-13(18-2)15(9)19-3)12(8-14(16)17)10-4-5-10/h6-7,10,12H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid?
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 117415167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).