2-bromo-4-pyrrolidin-3-ylphenol

C10H12BrNO — CID 82622109

IUPAC2-bromo-4-pyrrolidin-3-ylphenol
SMILESOc1ccc(C2CCNC2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2
InChIKeyUOEKEQJODWOJLN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.23
Rot. Bonds1

About 2-bromo-4-pyrrolidin-3-ylphenol

2-bromo-4-pyrrolidin-3-ylphenol (PubChem CID 82622109) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-4-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name2-bromo-4-pyrrolidin-3-ylphenol
PubChem CID82622109
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-4-pyrrolidin-3-ylphenol
SMILESOc1ccc(C2CCNC2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2
InChIKeyUOEKEQJODWOJLN-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
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CID 82623546
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
3-pyrrolidin-3-ylphenol
CID 12937992
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-bromo-4-piperidin-3-ylaniline
CID 130039466
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CID 171195910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pyrrolidin-3-ylphenol?
The IUPAC name of 2-bromo-4-pyrrolidin-3-ylphenol (CID 82622109) is 2-bromo-4-pyrrolidin-3-ylphenol.
What is the SMILES notation for 2-bromo-4-pyrrolidin-3-ylphenol?
The canonical SMILES for 2-bromo-4-pyrrolidin-3-ylphenol is Oc1ccc(C2CCNC2)cc1Br.
What is the InChIKey of 2-bromo-4-pyrrolidin-3-ylphenol?
The InChIKey is UOEKEQJODWOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-5-7(1-2-10(9)13)8-3-4-12-6-8/h1-2,5,8,12-13H,3-4,6H2.
What are the key properties of 2-bromo-4-pyrrolidin-3-ylphenol?
2-bromo-4-pyrrolidin-3-ylphenol has a molecular weight of 242.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pyrrolidin-3-ylphenol is sourced from PubChem (CID 82622109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).