2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol

C12H17NO2 — CID 131597321

IUPAC2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESCCOc1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C12H17NO2/c1-2-15-11-7-3-5-9(12(11)14)10-6-4-8-13-10/h3,5,7,10,13-14H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyHPFCVQXRZLVYAW-JTQLQIEISA-N
MW207.27 g/mol
LogP2.22
Rot. Bonds3

About 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol

2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 131597321) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID131597321
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESCCOc1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C12H17NO2/c1-2-15-11-7-3-5-9(12(11)14)10-6-4-8-13-10/h3,5,7,10,13-14H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyHPFCVQXRZLVYAW-JTQLQIEISA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.22
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-ethoxy-6-[(2S)-piperazin-2-yl]phenol
CID 171194105
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol (CID 131597321) is 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol is CCOc1cccc([C@@H]2CCCN2)c1O.
What is the InChIKey of 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is HPFCVQXRZLVYAW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-11-7-3-5-9(12(11)14)10-6-4-8-13-10/h3,5,7,10,13-14H,2,4,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol?
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 207.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 131597321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).