2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol

C13H18FNO2 — CID 84799672

IUPAC2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(CC2CCCN2)cc(C)c(O)c1F
InChIInChI=1S/C13H18FNO2/c1-8-6-9(7-10-4-3-5-15-10)13(17-2)11(14)12(8)16/h6,10,15-16H,3-5,7H2,1-2H3
InChIKeyZRCTZEYJJGAZGZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.14
Rot. Bonds3

About 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol

2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 84799672) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
PubChem CID84799672
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(CC2CCCN2)cc(C)c(O)c1F
InChIInChI=1S/C13H18FNO2/c1-8-6-9(7-10-4-3-5-15-10)13(17-2)11(14)12(8)16/h6,10,15-16H,3-5,7H2,1-2H3
InChIKeyZRCTZEYJJGAZGZ-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
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
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol (CID 84799672) is 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol is COc1c(CC2CCCN2)cc(C)c(O)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is ZRCTZEYJJGAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8-6-9(7-10-4-3-5-15-10)13(17-2)11(14)12(8)16/h6,10,15-16H,3-5,7H2,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol?
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 239.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 84799672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).