4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol

C14H21NO2 — CID 83922970

IUPAC4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
SMILESCc1cc(C(CCO)N2CCCC2)ccc1O
InChIInChI=1S/C14H21NO2/c1-11-10-12(4-5-14(11)17)13(6-9-16)15-7-2-3-8-15/h4-5,10,13,16-17H,2-3,6-9H2,1H3
InChIKeyAZQNTZKRJIGYKO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds4

About 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol

4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol (PubChem CID 83922970) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol.

Molecular Properties

Compound Name4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
PubChem CID83922970
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
SMILESCc1cc(C(CCO)N2CCCC2)ccc1O
InChIInChI=1S/C14H21NO2/c1-11-10-12(4-5-14(11)17)13(6-9-16)15-7-2-3-8-15/h4-5,10,13,16-17H,2-3,6-9H2,1H3
InChIKeyAZQNTZKRJIGYKO-UHFFFAOYSA-N
XLogP2.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294
2-methyl-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171167189
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
3-(4-propylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83935710
3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83926435
3-(2-bromo-4,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 83921882
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]-2-nitrophenol
CID 171189473
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173568

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol?
The IUPAC name of 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol (CID 83922970) is 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol.
What is the SMILES notation for 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol?
The canonical SMILES for 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol is Cc1cc(C(CCO)N2CCCC2)ccc1O.
What is the InChIKey of 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol?
The InChIKey is AZQNTZKRJIGYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-10-12(4-5-14(11)17)13(6-9-16)15-7-2-3-8-15/h4-5,10,13,16-17H,2-3,6-9H2,1H3.
What are the key properties of 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol?
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol is sourced from PubChem (CID 83922970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).