4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol

C13H19NO3 — CID 117237471

IUPAC4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO3/c1-14-7-6-10(8-14)13(16)9-17-12-4-2-11(15)3-5-12/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyRUKDNNSIVXHXMA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds4

About 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol

4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol (PubChem CID 117237471) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
PubChem CID117237471
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
SMILESCN1CCC(C(O)COc2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO3/c1-14-7-6-10(8-14)13(16)9-17-12-4-2-11(15)3-5-12/h2-5,10,13,15-16H,6-9H2,1H3
InChIKeyRUKDNNSIVXHXMA-UHFFFAOYSA-N
XLogP1.08
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238916
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
2-(4-chlorophenoxy)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237490
2-(4-chlorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 117237457
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
4-[2-(1-ethylpiperidin-4-yl)-3-hydroxypropoxy]phenol
CID 117239428
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The IUPAC name of 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol (CID 117237471) is 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol is CN1CCC(C(O)COc2ccc(O)cc2)C1.
What is the InChIKey of 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
The InChIKey is RUKDNNSIVXHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-7-6-10(8-14)13(16)9-17-12-4-2-11(15)3-5-12/h2-5,10,13,15-16H,6-9H2,1H3.
What are the key properties of 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol?
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol is sourced from PubChem (CID 117237471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).