2-(2-bromo-3-methylphenyl)ethanol

C9H11BrO — CID 22672571

IUPAC2-(2-bromo-3-methylphenyl)ethanol
SMILESCc1cccc(CCO)c1Br
InChIInChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,11H,5-6H2,1H3
InChIKeyQRQATCDZCSIOKN-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.29
Rot. Bonds2

About 2-(2-bromo-3-methylphenyl)ethanol

2-(2-bromo-3-methylphenyl)ethanol (PubChem CID 22672571) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)ethanol
PubChem CID22672571
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-(2-bromo-3-methylphenyl)ethanol
SMILESCc1cccc(CCO)c1Br
InChIInChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,11H,5-6H2,1H3
InChIKeyQRQATCDZCSIOKN-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-3-methylphenyl)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-(2-bromo-3-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-3-methylphenyl)ethanol (CID 22672571) is 2-(2-bromo-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)ethanol is Cc1cccc(CCO)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)ethanol?
The InChIKey is QRQATCDZCSIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-11)9(7)10/h2-4,11H,5-6H2,1H3.
What are the key properties of 2-(2-bromo-3-methylphenyl)ethanol?
2-(2-bromo-3-methylphenyl)ethanol has a molecular weight of 215.09 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylphenyl)ethanol is sourced from PubChem (CID 22672571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).