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

C10H12BrNO2 — CID 130725443

IUPAC2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
SMILESCOc1cc(Br)c(O)c([C@@H]2CCN2)c1
InChIInChI=1S/C10H12BrNO2/c1-14-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1
InChIKeyBRFGDWVLDQHVEX-VIFPVBQESA-N
MW258.11 g/mol
LogP2.20
Rot. Bonds2

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

2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol (PubChem CID 130725443) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
PubChem CID130725443
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
SMILESCOc1cc(Br)c(O)c([C@@H]2CCN2)c1
InChIInChI=1S/C10H12BrNO2/c1-14-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1
InChIKeyBRFGDWVLDQHVEX-VIFPVBQESA-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]-6-bromo-4-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-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol
CID 130706474
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
2-(2,4-dibromo-5-methoxyphenyl)azetidine
CID 130043119
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol (CID 130725443) is 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol is COc1cc(Br)c(O)c([C@@H]2CCN2)c1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol?
The InChIKey is BRFGDWVLDQHVEX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-6-4-7(9-2-3-12-9)10(13)8(11)5-6/h4-5,9,12-13H,2-3H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol?
2-[(2S)-azetidin-2-yl]-6-bromo-4-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]-6-bromo-4-methoxyphenol is sourced from PubChem (CID 130725443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).