4-bromo-2-pyrrolidin-1-ylphenol

C10H12BrNO — CID 84703170

IUPAC4-bromo-2-pyrrolidin-1-ylphenol
SMILESOc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C10H12BrNO/c11-8-3-4-10(13)9(7-8)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6H2
InChIKeyGXSSHAIRWWWVPD-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.75
Rot. Bonds1

About 4-bromo-2-pyrrolidin-1-ylphenol

4-bromo-2-pyrrolidin-1-ylphenol (PubChem CID 84703170) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-bromo-2-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name4-bromo-2-pyrrolidin-1-ylphenol
PubChem CID84703170
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-bromo-2-pyrrolidin-1-ylphenol
SMILESOc1ccc(Br)cc1N1CCCC1
InChIInChI=1S/C10H12BrNO/c11-8-3-4-10(13)9(7-8)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6H2
InChIKeyGXSSHAIRWWWVPD-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-di(piperidin-1-yl)phenol
CID 130450866
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
2-(azocan-1-yl)-4-bromobenzenecarbothioamide
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2-(azocan-1-yl)-4-bromobenzonitrile
CID 112694673
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-[4-(2-hydroxy-5-methylphenyl)-1,4-diazepan-1-yl]-4-methylphenol
CID 102342168
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
CID 82972487
4-bromo-2-piperidin-1-ylbenzenecarboximidamide
CID 114904395
2-[(4-bromo-2-pyrrolidin-1-ylanilino)methylidene]propanedinitrile
CID 168545093

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pyrrolidin-1-ylphenol?
The IUPAC name of 4-bromo-2-pyrrolidin-1-ylphenol (CID 84703170) is 4-bromo-2-pyrrolidin-1-ylphenol.
What is the SMILES notation for 4-bromo-2-pyrrolidin-1-ylphenol?
The canonical SMILES for 4-bromo-2-pyrrolidin-1-ylphenol is Oc1ccc(Br)cc1N1CCCC1.
What is the InChIKey of 4-bromo-2-pyrrolidin-1-ylphenol?
The InChIKey is GXSSHAIRWWWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-3-4-10(13)9(7-8)12-5-1-2-6-12/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 4-bromo-2-pyrrolidin-1-ylphenol?
4-bromo-2-pyrrolidin-1-ylphenol has a molecular weight of 242.12 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pyrrolidin-1-ylphenol is sourced from PubChem (CID 84703170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).