5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

C12H16BrNO2 — CID 117460798

IUPAC5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)c(O)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyMWVSGJJKDYIXRH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117460798) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117460798
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(CC2CCCN2)c(O)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyMWVSGJJKDYIXRH-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
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
5-hydroxy-4-methoxy-2-(pyrrolidin-2-ylmethyl)benzaldehyde
CID 117342283
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-bromo-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117428488
5-hydroxy-4-methoxy-2-(piperidin-2-ylmethyl)benzaldehyde
CID 117376557
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (CID 117460798) is 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is COc1cc(CC2CCCN2)c(O)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is MWVSGJJKDYIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-12-6-8(11(15)7-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 286.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117460798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).