3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid

C16H22O4 — CID 117446254

IUPAC3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
SMILESCCc1cc(OC)c(OC)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H22O4/c1-4-10-7-13(16(20-3)14(8-10)19-2)12(9-15(17)18)11-5-6-11/h7-8,11-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyFTCAVNJABKFYCU-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.23
Rot. Bonds7

About 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid

3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid (PubChem CID 117446254) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
PubChem CID117446254
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
SMILESCCc1cc(OC)c(OC)c(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H22O4/c1-4-10-7-13(16(20-3)14(8-10)19-2)12(9-15(17)18)11-5-6-11/h7-8,11-12H,4-6,9H2,1-3H3,(H,17,18)
InChIKeyFTCAVNJABKFYCU-UHFFFAOYSA-N
XLogP3.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117457873

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid (CID 117446254) is 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid is CCc1cc(OC)c(OC)c(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid?
The InChIKey is FTCAVNJABKFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-10-7-13(16(20-3)14(8-10)19-2)12(9-15(17)18)11-5-6-11/h7-8,11-12H,4-6,9H2,1-3H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid?
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117446254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).