(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol

C12H17NO3 — CID 103882000

IUPAC(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](O)C2)c(O)c1
InChIInChI=1S/C12H17NO3/c1-16-11-3-2-9(12(15)6-11)7-13-5-4-10(14)8-13/h2-3,6,10,14-15H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyVQIWLYZESOMLEH-SNVBAGLBSA-N
MW223.27 g/mol
LogP0.97
Rot. Bonds3

About (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 103882000) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID103882000
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@@H](O)C2)c(O)c1
InChIInChI=1S/C12H17NO3/c1-16-11-3-2-9(12(15)6-11)7-13-5-4-10(14)8-13/h2-3,6,10,14-15H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyVQIWLYZESOMLEH-SNVBAGLBSA-N
XLogP0.97
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol (CID 103882000) is (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol is COc1ccc(CN2CC[C@@H](O)C2)c(O)c1.
What is the InChIKey of (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is VQIWLYZESOMLEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-11-3-2-9(12(15)6-11)7-13-5-4-10(14)8-13/h2-3,6,10,14-15H,4-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 223.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103882000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).