2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol

C11H14BrNO — CID 130706474

IUPAC2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c([C@H]2CCN2)c1
InChIInChI=1S/C11H14BrNO/c1-2-7-5-8(10-3-4-13-10)11(14)9(12)6-7/h5-6,10,13-14H,2-4H2,1H3/t10-/m1/s1
InChIKeyZEWSKDSMTNDPFA-SNVBAGLBSA-N
MW256.14 g/mol
LogP2.75
Rot. Bonds2

About 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol

2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol (PubChem CID 130706474) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol.

Molecular Properties

Compound Name2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol
PubChem CID130706474
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c([C@H]2CCN2)c1
InChIInChI=1S/C11H14BrNO/c1-2-7-5-8(10-3-4-13-10)11(14)9(12)6-7/h5-6,10,13-14H,2-4H2,1H3/t10-/m1/s1
InChIKeyZEWSKDSMTNDPFA-SNVBAGLBSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol 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
2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506
2-bromo-4-ethyl-6-(piperazin-1-ylmethyl)phenol
CID 117482043
3-bromo-4-hydroxy-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 131317777
3-bromo-4-hydroxy-5-[(2S)-piperidin-2-yl]benzonitrile
CID 131346638
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
2-[(2R)-azetidin-2-yl]-4-ethoxyphenol
CID 55263715
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol?
The IUPAC name of 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol (CID 130706474) is 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol.
What is the SMILES notation for 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol?
The canonical SMILES for 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol is CCc1cc(Br)c(O)c([C@H]2CCN2)c1.
What is the InChIKey of 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol?
The InChIKey is ZEWSKDSMTNDPFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-7-5-8(10-3-4-13-10)11(14)9(12)6-7/h5-6,10,13-14H,2-4H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol?
2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol is sourced from PubChem (CID 130706474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).