2-[(2S)-azetidin-2-yl]-6-ethylphenol

C11H15NO — CID 130780797

IUPAC2-[(2S)-azetidin-2-yl]-6-ethylphenol
SMILESCCc1cccc([C@@H]2CCN2)c1O
InChIInChI=1S/C11H15NO/c1-2-8-4-3-5-9(11(8)13)10-6-7-12-10/h3-5,10,12-13H,2,6-7H2,1H3/t10-/m0/s1
InChIKeyMGDSWTNAVPZIEN-JTQLQIEISA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds2

About 2-[(2S)-azetidin-2-yl]-6-ethylphenol

2-[(2S)-azetidin-2-yl]-6-ethylphenol (PubChem CID 130780797) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-6-ethylphenol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-6-ethylphenol
PubChem CID130780797
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(2S)-azetidin-2-yl]-6-ethylphenol
SMILESCCc1cccc([C@@H]2CCN2)c1O
InChIInChI=1S/C11H15NO/c1-2-8-4-3-5-9(11(8)13)10-6-7-12-10/h3-5,10,12-13H,2,6-7H2,1H3/t10-/m0/s1
InChIKeyMGDSWTNAVPZIEN-JTQLQIEISA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol
CID 55263951
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
2-[(2R)-aziridin-2-yl]-6-propylphenol
CID 165358418
2-(azetidin-2-yl)phenol
CID 55282316
ethane;2-ethyl-6-(oxetan-3-yl)phenol
CID 145443484
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
6-[(2S)-azetidin-2-yl]-3-chloro-2-methylphenol
CID 131008087
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-6-ethylphenol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-6-ethylphenol (CID 130780797) is 2-[(2S)-azetidin-2-yl]-6-ethylphenol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-6-ethylphenol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-6-ethylphenol is CCc1cccc([C@@H]2CCN2)c1O.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-6-ethylphenol?
The InChIKey is MGDSWTNAVPZIEN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-4-3-5-9(11(8)13)10-6-7-12-10/h3-5,10,12-13H,2,6-7H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-6-ethylphenol?
2-[(2S)-azetidin-2-yl]-6-ethylphenol has a molecular weight of 177.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-6-ethylphenol is sourced from PubChem (CID 130780797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).