2,3-dimethoxy-6-pyrrolidin-2-ylphenol

C12H17NO3 — CID 77131807

IUPAC2,3-dimethoxy-6-pyrrolidin-2-ylphenol
SMILESCOc1ccc(C2CCCN2)c(O)c1OC
InChIInChI=1S/C12H17NO3/c1-15-10-6-5-8(9-4-3-7-13-9)11(14)12(10)16-2/h5-6,9,13-14H,3-4,7H2,1-2H3
InChIKeyKJHCXJINAPBTNV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.83
Rot. Bonds3

About 2,3-dimethoxy-6-pyrrolidin-2-ylphenol

2,3-dimethoxy-6-pyrrolidin-2-ylphenol (PubChem CID 77131807) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,3-dimethoxy-6-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2,3-dimethoxy-6-pyrrolidin-2-ylphenol
PubChem CID77131807
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,3-dimethoxy-6-pyrrolidin-2-ylphenol
SMILESCOc1ccc(C2CCCN2)c(O)c1OC
InChIInChI=1S/C12H17NO3/c1-15-10-6-5-8(9-4-3-7-13-9)11(14)12(10)16-2/h5-6,9,13-14H,3-4,7H2,1-2H3
InChIKeyKJHCXJINAPBTNV-UHFFFAOYSA-N
XLogP1.83
TPSA50.72 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 ≤ 51.83
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

2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-pyrrolidin-2-ylphenol?
The IUPAC name of 2,3-dimethoxy-6-pyrrolidin-2-ylphenol (CID 77131807) is 2,3-dimethoxy-6-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2,3-dimethoxy-6-pyrrolidin-2-ylphenol?
The canonical SMILES for 2,3-dimethoxy-6-pyrrolidin-2-ylphenol is COc1ccc(C2CCCN2)c(O)c1OC.
What is the InChIKey of 2,3-dimethoxy-6-pyrrolidin-2-ylphenol?
The InChIKey is KJHCXJINAPBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-6-5-8(9-4-3-7-13-9)11(14)12(10)16-2/h5-6,9,13-14H,3-4,7H2,1-2H3.
What are the key properties of 2,3-dimethoxy-6-pyrrolidin-2-ylphenol?
2,3-dimethoxy-6-pyrrolidin-2-ylphenol has a molecular weight of 223.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-pyrrolidin-2-ylphenol is sourced from PubChem (CID 77131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).