4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol

C15H23NO2 — CID 117377260

IUPAC4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
SMILESCOc1cc(C(C)(C)C)cc(C2CCCN2)c1O
InChIInChI=1S/C15H23NO2/c1-15(2,3)10-8-11(12-6-5-7-16-12)14(17)13(9-10)18-4/h8-9,12,16-17H,5-7H2,1-4H3
InChIKeyDMJFQLFZLLDRJQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.12
Rot. Bonds2

About 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol

4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol (PubChem CID 117377260) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
PubChem CID117377260
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
SMILESCOc1cc(C(C)(C)C)cc(C2CCCN2)c1O
InChIInChI=1S/C15H23NO2/c1-15(2,3)10-8-11(12-6-5-7-16-12)14(17)13(9-10)18-4/h8-9,12,16-17H,5-7H2,1-4H3
InChIKeyDMJFQLFZLLDRJQ-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-methoxy-4-nitro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 171196587
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
5-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117473426
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol?
The IUPAC name of 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol (CID 117377260) is 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol.
What is the SMILES notation for 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol?
The canonical SMILES for 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol is COc1cc(C(C)(C)C)cc(C2CCCN2)c1O.
What is the InChIKey of 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol?
The InChIKey is DMJFQLFZLLDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)10-8-11(12-6-5-7-16-12)14(17)13(9-10)18-4/h8-9,12,16-17H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol?
4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol has a molecular weight of 249.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol is sourced from PubChem (CID 117377260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).