3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid

C16H20O4 — CID 117442474

IUPAC3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)C2CC2)c1OC1CC1
InChIInChI=1S/C16H20O4/c1-19-14-4-2-3-12(16(14)20-11-7-8-11)13(9-15(17)18)10-5-6-10/h2-4,10-11,13H,5-9H2,1H3,(H,17,18)
InChIKeyIFGVJLTYFSQEGN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.20
Rot. Bonds7

About 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid

3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid (PubChem CID 117442474) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
PubChem CID117442474
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CC(=O)O)C2CC2)c1OC1CC1
InChIInChI=1S/C16H20O4/c1-19-14-4-2-3-12(16(14)20-11-7-8-11)13(9-15(17)18)10-5-6-10/h2-4,10-11,13H,5-9H2,1H3,(H,17,18)
InChIKeyIFGVJLTYFSQEGN-UHFFFAOYSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117469192
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
3-amino-3-[3-methoxy-2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 117478973
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
3-cyclopropyl-3-[2,4-dimethoxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117474847
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-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid (CID 117442474) is 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid is COc1cccc(C(CC(=O)O)C2CC2)c1OC1CC1.
What is the InChIKey of 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid?
The InChIKey is IFGVJLTYFSQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-19-14-4-2-3-12(16(14)20-11-7-8-11)13(9-15(17)18)10-5-6-10/h2-4,10-11,13H,5-9H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid?
3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid has a molecular weight of 276.33 g/mol, XLogP of 3.20, 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-cyclopropyloxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117442474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).