2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol

C13H19NO2 — CID 117316517

IUPAC2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)cc(C)c1O
InChIInChI=1S/C13H19NO2/c1-9-6-10(7-11-4-3-5-14-11)8-12(16-2)13(9)15/h6,8,11,14-15H,3-5,7H2,1-2H3
InChIKeyVTLFGTOMIQBJRR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds3

About 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol

2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117316517) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117316517
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)cc(C)c1O
InChIInChI=1S/C13H19NO2/c1-9-6-10(7-11-4-3-5-14-11)8-12(16-2)13(9)15/h6,8,11,14-15H,3-5,7H2,1-2H3
InChIKeyVTLFGTOMIQBJRR-UHFFFAOYSA-N
XLogP2.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
CID 117399744
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 113441439

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol (CID 117316517) is 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol is COc1cc(CC2CCCN2)cc(C)c1O.
What is the InChIKey of 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is VTLFGTOMIQBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-10(7-11-4-3-5-14-11)8-12(16-2)13(9)15/h6,8,11,14-15H,3-5,7H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117316517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).