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

C14H21NO3 — CID 117237799

IUPAC2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
SMILESCN1CCC(C(CO)COc2ccccc2O)C1
InChIInChI=1S/C14H21NO3/c1-15-7-6-11(8-15)12(9-16)10-18-14-5-3-2-4-13(14)17/h2-5,11-12,16-17H,6-10H2,1H3
InChIKeyKKWRZTFZBIMGFO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.33
Rot. Bonds5

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

2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol (PubChem CID 117237799) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol.

Molecular Properties

Compound Name2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
PubChem CID117237799
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
SMILESCN1CCC(C(CO)COc2ccccc2O)C1
InChIInChI=1S/C14H21NO3/c1-15-7-6-11(8-15)12(9-16)10-18-14-5-3-2-4-13(14)17/h2-5,11-12,16-17H,6-10H2,1H3
InChIKeyKKWRZTFZBIMGFO-UHFFFAOYSA-N
XLogP1.33
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237295
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
2-(2-methylphenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237280
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
CID 117237323
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol?
The IUPAC name of 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol (CID 117237799) is 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol.
What is the SMILES notation for 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol?
The canonical SMILES for 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol is CN1CCC(C(CO)COc2ccccc2O)C1.
What is the InChIKey of 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol?
The InChIKey is KKWRZTFZBIMGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-7-6-11(8-15)12(9-16)10-18-14-5-3-2-4-13(14)17/h2-5,11-12,16-17H,6-10H2,1H3.
What are the key properties of 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol?
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol has a molecular weight of 251.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol is sourced from PubChem (CID 117237799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).