2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol

C11H15BrO2 — CID 117400973

IUPAC2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
SMILESCOc1c(Br)cc(C)c(C)c1CCO
InChIInChI=1S/C11H15BrO2/c1-7-6-10(12)11(14-3)9(4-5-13)8(7)2/h6,13H,4-5H2,1-3H3
InChIKeyCHQWMASLJYPIHF-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol

2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol (PubChem CID 117400973) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
PubChem CID117400973
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
SMILESCOc1c(Br)cc(C)c(C)c1CCO
InChIInChI=1S/C11H15BrO2/c1-7-6-10(12)11(14-3)9(4-5-13)8(7)2/h6,13H,4-5H2,1-3H3
InChIKeyCHQWMASLJYPIHF-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol 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-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 84814002
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)ethanol
CID 117306109
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol (CID 117400973) is 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol is COc1c(Br)cc(C)c(C)c1CCO.
What is the InChIKey of 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol?
The InChIKey is CHQWMASLJYPIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-6-10(12)11(14-3)9(4-5-13)8(7)2/h6,13H,4-5H2,1-3H3.
What are the key properties of 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol?
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol has a molecular weight of 259.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol is sourced from PubChem (CID 117400973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).