2-bromo-1-(4-methoxyphenyl)ethanol

C9H11BrO2 — CID 14288506

IUPAC2-bromo-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CBr)cc1
InChIInChI=1S/C9H11BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKeyJJLBVKRIOOBGPP-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.12
Rot. Bonds3

About 2-bromo-1-(4-methoxyphenyl)ethanol

2-bromo-1-(4-methoxyphenyl)ethanol (PubChem CID 14288506) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(4-methoxyphenyl)ethanol
PubChem CID14288506
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CBr)cc1
InChIInChI=1S/C9H11BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKeyJJLBVKRIOOBGPP-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-methoxyphenyl)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 2-bromo-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-bromo-1-(4-methoxyphenyl)ethanol (CID 14288506) is 2-bromo-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-bromo-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-bromo-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CBr)cc1.
What is the InChIKey of 2-bromo-1-(4-methoxyphenyl)ethanol?
The InChIKey is JJLBVKRIOOBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-bromo-1-(4-methoxyphenyl)ethanol?
2-bromo-1-(4-methoxyphenyl)ethanol has a molecular weight of 231.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 14288506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).