6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol

C13H19NO2 — CID 144603265

IUPAC6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol
SMILESCc1c(N2CCCC2)ccc(CCO)c1O
InChIInChI=1S/C13H19NO2/c1-10-12(14-7-2-3-8-14)5-4-11(6-9-15)13(10)16/h4-5,15-16H,2-3,6-9H2,1H3
InChIKeyHMJGNMQHANYLGH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds3

About 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol

6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol (PubChem CID 144603265) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol
PubChem CID144603265
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol
SMILESCc1c(N2CCCC2)ccc(CCO)c1O
InChIInChI=1S/C13H19NO2/c1-10-12(14-7-2-3-8-14)5-4-11(6-9-15)13(10)16/h4-5,15-16H,2-3,6-9H2,1H3
InChIKeyHMJGNMQHANYLGH-UHFFFAOYSA-N
XLogP1.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-piperidin-1-ylphenyl)ethanol
CID 117313218
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
2-[6-(azepan-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546243
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
(6-methyl-4-piperidin-1-ylnaphthalen-1-yl)methanol
CID 142617854
1-[3-(bromomethyl)-2-methylphenyl]piperidine
CID 121004063
2,3-dimethyl-4-pyrrolidin-1-ylbenzaldehyde
CID 6500386
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545544
2-fluoro-3-iodo-6-pyrrolidin-1-ylphenol
CID 168515473
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol?
The IUPAC name of 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol (CID 144603265) is 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol.
What is the SMILES notation for 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol?
The canonical SMILES for 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol is Cc1c(N2CCCC2)ccc(CCO)c1O.
What is the InChIKey of 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol?
The InChIKey is HMJGNMQHANYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-12(14-7-2-3-8-14)5-4-11(6-9-15)13(10)16/h4-5,15-16H,2-3,6-9H2,1H3.
What are the key properties of 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol?
6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol has a molecular weight of 221.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2-methyl-3-pyrrolidin-1-ylphenol is sourced from PubChem (CID 144603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).