3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid

C17H22O4 — CID 117469192

IUPAC3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cccc(C(CC(=O)O)C2CC2)c1OC1CCC1
InChIInChI=1S/C17H22O4/c1-20-15-7-3-6-13(17(15)21-12-4-2-5-12)14(10-16(18)19)11-8-9-11/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyPWKWIASGOPTDMV-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.59
Rot. Bonds7

About 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid

3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117469192) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
PubChem CID117469192
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cccc(C(CC(=O)O)C2CC2)c1OC1CCC1
InChIInChI=1S/C17H22O4/c1-20-15-7-3-6-13(17(15)21-12-4-2-5-12)14(10-16(18)19)11-8-9-11/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3,(H,18,19)
InChIKeyPWKWIASGOPTDMV-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(2-cyclopropyloxy-3-methoxyphenyl)propanoic acid
CID 117442474
3-cyclopropyl-3-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117490730
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932
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-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
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid (CID 117469192) is 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid is COc1cccc(C(CC(=O)O)C2CC2)c1OC1CCC1.
What is the InChIKey of 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is PWKWIASGOPTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-20-15-7-3-6-13(17(15)21-12-4-2-5-12)14(10-16(18)19)11-8-9-11/h3,6-7,11-12,14H,2,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyloxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117469192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).