4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol

C13H19NO2 — CID 66519378

IUPAC4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESCOCCc1ccc(O)c([C@@H]2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-16-8-6-10-4-5-13(15)11(9-10)12-3-2-7-14-12/h4-5,9,12,14-15H,2-3,6-8H2,1H3/t12-/m0/s1
InChIKeyHJSQFJLMJLBOMS-LBPRGKRZSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol

4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66519378) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66519378
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol
SMILESCOCCc1ccc(O)c([C@@H]2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-16-8-6-10-4-5-13(15)11(9-10)12-3-2-7-14-12/h4-5,9,12,14-15H,2-3,6-8H2,1H3/t12-/m0/s1
InChIKeyHJSQFJLMJLBOMS-LBPRGKRZSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
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

methyl 2-[4-hydroxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66519346
2-[(2R)-azetidin-2-yl]-4-(methoxymethyl)phenol
CID 55262268
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
4-(1-fluoroethyl)-2-pyrrolidin-2-ylphenol
CID 84677007
4-bromo-2-piperidin-2-ylphenol
CID 82623427
4-(2-methoxyethyl)-2-methylphenol
CID 19977526
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol (CID 66519378) is 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol is COCCc1ccc(O)c([C@@H]2CCCN2)c1.
What is the InChIKey of 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is HJSQFJLMJLBOMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-8-6-10-4-5-13(15)11(9-10)12-3-2-7-14-12/h4-5,9,12,14-15H,2-3,6-8H2,1H3/t12-/m0/s1.
What are the key properties of 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol?
4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66519378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).