3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol

C13H19NO3 — CID 117347144

IUPAC3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1ccc(O)c(C2(C)CCCN2)c1OC
InChIInChI=1S/C13H19NO3/c1-13(7-4-8-14-13)11-9(15)5-6-10(16-2)12(11)17-3/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyOFRMHWBGTFYYFF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds3

About 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol

3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117347144) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117347144
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1ccc(O)c(C2(C)CCCN2)c1OC
InChIInChI=1S/C13H19NO3/c1-13(7-4-8-14-13)11-9(15)5-6-10(16-2)12(11)17-3/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyOFRMHWBGTFYYFF-UHFFFAOYSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol (CID 117347144) is 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol is COc1ccc(O)c(C2(C)CCCN2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is OFRMHWBGTFYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(7-4-8-14-13)11-9(15)5-6-10(16-2)12(11)17-3/h5-6,14-15H,4,7-8H2,1-3H3.
What are the key properties of 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol?
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 237.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117347144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).