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

C13H19NO2 — CID 117316525

IUPAC3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1ccc(CC2CCCN2)c(O)c1C
InChIInChI=1S/C13H19NO2/c1-9-12(16-2)6-5-10(13(9)15)8-11-4-3-7-14-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3
InChIKeyJDQRWLGELICWAU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds3

About 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol

3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117316525) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117316525
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1ccc(CC2CCCN2)c(O)c1C
InChIInChI=1S/C13H19NO2/c1-9-12(16-2)6-5-10(13(9)15)8-11-4-3-7-14-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3
InChIKeyJDQRWLGELICWAU-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-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol (CID 117316525) is 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol is COc1ccc(CC2CCCN2)c(O)c1C.
What is the InChIKey of 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is JDQRWLGELICWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-12(16-2)6-5-10(13(9)15)8-11-4-3-7-14-11/h5-6,11,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol?
3-methoxy-2-methyl-6-(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 3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117316525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).