1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid

C15H20O3 — CID 65013802

IUPAC1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccccc2OC)C1
InChIInChI=1S/C15H20O3/c1-3-6-11-9-15(10-11,14(16)17)12-7-4-5-8-13(12)18-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)
InChIKeyRSKCCFRSMWBTJV-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid

1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid (PubChem CID 65013802) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
PubChem CID65013802
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid
SMILESCCCC1CC(C(=O)O)(c2ccccc2OC)C1
InChIInChI=1S/C15H20O3/c1-3-6-11-9-15(10-11,14(16)17)12-7-4-5-8-13(12)18-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17)
InChIKeyRSKCCFRSMWBTJV-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid (CID 65013802) is 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid is CCCC1CC(C(=O)O)(c2ccccc2OC)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid?
The InChIKey is RSKCCFRSMWBTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-6-11-9-15(10-11,14(16)17)12-7-4-5-8-13(12)18-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid?
1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-propylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 65013802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).