2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol

C12H16BrNO2 — CID 130148506

IUPAC2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
SMILESCCOc1cc(C2CCCN2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-2-16-11-7-8(6-9(13)12(11)15)10-4-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyWTDYTUPHKNUHDL-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.98
Rot. Bonds3

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

2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol (PubChem CID 130148506) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
PubChem CID130148506
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
SMILESCCOc1cc(C2CCCN2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-2-16-11-7-8(6-9(13)12(11)15)10-4-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3
InChIKeyWTDYTUPHKNUHDL-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol 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-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117495069
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol?
The IUPAC name of 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol (CID 130148506) is 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol is CCOc1cc(C2CCCN2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol?
The InChIKey is WTDYTUPHKNUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-16-11-7-8(6-9(13)12(11)15)10-4-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3.
What are the key properties of 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol?
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol has a molecular weight of 286.17 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol is sourced from PubChem (CID 130148506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).