2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol

C11H15BrO2 — CID 117400972

IUPAC2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
SMILESCOc1c(CCO)cc(C)c(Br)c1C
InChIInChI=1S/C11H15BrO2/c1-7-6-9(4-5-13)11(14-3)8(2)10(7)12/h6,13H,4-5H2,1-3H3
InChIKeyOXFCUORNVQYRLW-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.61
Rot. Bonds3

About 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol

2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol (PubChem CID 117400972) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
PubChem CID117400972
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
SMILESCOc1c(CCO)cc(C)c(Br)c1C
InChIInChI=1S/C11H15BrO2/c1-7-6-9(4-5-13)11(14-3)8(2)10(7)12/h6,13H,4-5H2,1-3H3
InChIKeyOXFCUORNVQYRLW-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

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Related Compounds

2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
CID 171820126
CID 171820126
3-(4-bromo-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84814001
3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol
CID 87901219
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol (CID 117400972) is 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol is COc1c(CCO)cc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol?
The InChIKey is OXFCUORNVQYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-6-9(4-5-13)11(14-3)8(2)10(7)12/h6,13H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol?
2-(4-bromo-2-methoxy-3,5-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-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 117400972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).