4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol

C14H21NO2 — CID 117343303

IUPAC4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)c(O)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-9-10(2)14(16)11(8-13(9)17-3)7-12-5-4-6-15-12/h8,12,15-16H,4-7H2,1-3H3
InChIKeyOLRYHUNWGRCEPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds3

About 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol

4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117343303) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117343303
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)c(O)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-9-10(2)14(16)11(8-13(9)17-3)7-12-5-4-6-15-12/h8,12,15-16H,4-7H2,1-3H3
InChIKeyOLRYHUNWGRCEPL-UHFFFAOYSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
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
3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489195

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol (CID 117343303) is 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol is COc1cc(CC2CCCN2)c(O)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is OLRYHUNWGRCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-10(2)14(16)11(8-13(9)17-3)7-12-5-4-6-15-12/h8,12,15-16H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol?
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).