2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol

C10H12BrNO — CID 66519672

IUPAC2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@H]2CCCN2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1
InChIKeyIZXGWIAFVDUTCC-SECBINFHSA-N
MW242.12 g/mol
LogP2.58
Rot. Bonds1

About 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol

2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 66519672) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID66519672
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@H]2CCCN2)cc1Br
InChIInChI=1S/C10H12BrNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1
InChIKeyIZXGWIAFVDUTCC-SECBINFHSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
CID 77131425
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol (CID 66519672) is 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol is Oc1ccc([C@H]2CCCN2)cc1Br.
What is the InChIKey of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is IZXGWIAFVDUTCC-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1.
What are the key properties of 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol?
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 242.12 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66519672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).