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

C12H15BrFNO2 — CID 117489195

IUPAC4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(O)c(CC2CCCN2)cc(Br)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-10(14)9(13)6-7(11(12)16)5-8-3-2-4-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyNYVGWCHJTVZHDI-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.60
Rot. Bonds3

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

4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117489195) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117489195
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1c(O)c(CC2CCCN2)cc(Br)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-10(14)9(13)6-7(11(12)16)5-8-3-2-4-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyNYVGWCHJTVZHDI-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117489185
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol (CID 117489195) is 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol is COc1c(O)c(CC2CCCN2)cc(Br)c1F.
What is the InChIKey of 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is NYVGWCHJTVZHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-12-10(14)9(13)6-7(11(12)16)5-8-3-2-4-15-8/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol?
4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 304.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-methoxy-6-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).