2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol

C10H12BrNO2 — CID 130699449

IUPAC2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
SMILESCOc1cc(Br)cc([C@@H]2CCN2)c1O
InChIInChI=1S/C10H12BrNO2/c1-14-9-5-6(11)4-7(10(9)13)8-2-3-12-8/h4-5,8,12-13H,2-3H2,1H3/t8-/m0/s1
InChIKeyGBZXBWCVHPPJPI-QMMMGPOBSA-N
MW258.11 g/mol
LogP2.20
Rot. Bonds2

About 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol

2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol (PubChem CID 130699449) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
PubChem CID130699449
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
SMILESCOc1cc(Br)cc([C@@H]2CCN2)c1O
InChIInChI=1S/C10H12BrNO2/c1-14-9-5-6(11)4-7(10(9)13)8-2-3-12-8/h4-5,8,12-13H,2-3H2,1H3/t8-/m0/s1
InChIKeyGBZXBWCVHPPJPI-QMMMGPOBSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
(4S)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184139
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
4-bromo-2-methoxy-6-morpholin-2-ylphenol
CID 117464726
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
CID 117377260
2-[(2S)-azetidin-2-yl]-4-bromo-6-nitrophenol
CID 131268033
2-[(2S)-aziridin-2-yl]-6-methoxy-4-methylphenol
CID 55262437

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol (CID 130699449) is 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol is COc1cc(Br)cc([C@@H]2CCN2)c1O.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol?
The InChIKey is GBZXBWCVHPPJPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-9-5-6(11)4-7(10(9)13)8-2-3-12-8/h4-5,8,12-13H,2-3H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol?
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol has a molecular weight of 258.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol is sourced from PubChem (CID 130699449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).