1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol

C12H16BrNO — CID 117113836

IUPAC1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
SMILESCC(O)c1c(Br)cccc1N1CCCC1
InChIInChI=1S/C12H16BrNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyMOIULRUCHSPYCZ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.10
Rot. Bonds2

About 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol

1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 117113836) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
PubChem CID117113836
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
SMILESCC(O)c1c(Br)cccc1N1CCCC1
InChIInChI=1S/C12H16BrNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3
InChIKeyMOIULRUCHSPYCZ-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol (CID 117113836) is 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol is CC(O)c1c(Br)cccc1N1CCCC1.
What is the InChIKey of 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is MOIULRUCHSPYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3.
What are the key properties of 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol?
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 270.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 117113836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).