3-butyl-5-pyrrolidin-1-ylphenol

C14H21NO — CID 174461937

IUPAC3-butyl-5-pyrrolidin-1-ylphenol
SMILESCCCCc1cc(O)cc(N2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-15/h9-11,16H,2-8H2,1H3
InChIKeyJMLSLOZFQZHPOJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.34
Rot. Bonds4

About 3-butyl-5-pyrrolidin-1-ylphenol

3-butyl-5-pyrrolidin-1-ylphenol (PubChem CID 174461937) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-butyl-5-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name3-butyl-5-pyrrolidin-1-ylphenol
PubChem CID174461937
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-butyl-5-pyrrolidin-1-ylphenol
SMILESCCCCc1cc(O)cc(N2CCCC2)c1
InChIInChI=1S/C14H21NO/c1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-15/h9-11,16H,2-8H2,1H3
InChIKeyJMLSLOZFQZHPOJ-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-pyrrolidin-1-ylphenol?
The IUPAC name of 3-butyl-5-pyrrolidin-1-ylphenol (CID 174461937) is 3-butyl-5-pyrrolidin-1-ylphenol.
What is the SMILES notation for 3-butyl-5-pyrrolidin-1-ylphenol?
The canonical SMILES for 3-butyl-5-pyrrolidin-1-ylphenol is CCCCc1cc(O)cc(N2CCCC2)c1.
What is the InChIKey of 3-butyl-5-pyrrolidin-1-ylphenol?
The InChIKey is JMLSLOZFQZHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-6-12-9-13(11-14(16)10-12)15-7-4-5-8-15/h9-11,16H,2-8H2,1H3.
What are the key properties of 3-butyl-5-pyrrolidin-1-ylphenol?
3-butyl-5-pyrrolidin-1-ylphenol has a molecular weight of 219.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-pyrrolidin-1-ylphenol is sourced from PubChem (CID 174461937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).