4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol

C14H20FNO2 — CID 117386397

IUPAC4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1c(C)c(F)c(C)c(C2(C)CCCN2)c1O
InChIInChI=1S/C14H20FNO2/c1-8-10(14(3)6-5-7-16-14)12(17)13(18-4)9(2)11(8)15/h16-17H,5-7H2,1-4H3
InChIKeyIPTHVGJXXQHERK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.76
Rot. Bonds2

About 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol

4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117386397) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117386397
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
SMILESCOc1c(C)c(F)c(C)c(C2(C)CCCN2)c1O
InChIInChI=1S/C14H20FNO2/c1-8-10(14(3)6-5-7-16-14)12(17)13(18-4)9(2)11(8)15/h16-17H,5-7H2,1-4H3
InChIKeyIPTHVGJXXQHERK-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol (CID 117386397) is 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol is COc1c(C)c(F)c(C)c(C2(C)CCCN2)c1O.
What is the InChIKey of 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is IPTHVGJXXQHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-8-10(14(3)6-5-7-16-14)12(17)13(18-4)9(2)11(8)15/h16-17H,5-7H2,1-4H3.
What are the key properties of 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol?
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 253.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117386397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).