4-bromo-2-methyl-6-pyrrolidin-2-ylphenol

C11H14BrNO — CID 117393322

IUPAC4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
SMILESCc1cc(Br)cc(C2CCCN2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-5-8(12)6-9(11(7)14)10-3-2-4-13-10/h5-6,10,13-14H,2-4H2,1H3
InChIKeyLFYAUHRJESDAPO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.89
Rot. Bonds1

About 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol

4-bromo-2-methyl-6-pyrrolidin-2-ylphenol (PubChem CID 117393322) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
PubChem CID117393322
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
SMILESCc1cc(Br)cc(C2CCCN2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-5-8(12)6-9(11(7)14)10-3-2-4-13-10/h5-6,10,13-14H,2-4H2,1H3
InChIKeyLFYAUHRJESDAPO-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
4-bromo-2-nitro-6-[(2S)-piperidin-2-yl]phenol;hydrochloride
CID 171195223
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
4-bromo-2-piperidin-2-ylphenol
CID 82623427
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443
2-tert-butyl-4-chloro-6-pyrrolidin-2-ylphenol
CID 117387935
3-bromo-4-hydroxy-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 131317777

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol?
The IUPAC name of 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol (CID 117393322) is 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol.
What is the SMILES notation for 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol?
The canonical SMILES for 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol is Cc1cc(Br)cc(C2CCCN2)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol?
The InChIKey is LFYAUHRJESDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-5-8(12)6-9(11(7)14)10-3-2-4-13-10/h5-6,10,13-14H,2-4H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol?
4-bromo-2-methyl-6-pyrrolidin-2-ylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-pyrrolidin-2-ylphenol is sourced from PubChem (CID 117393322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).