6-bromo-2-(2-hydroxyethyl)-3-methylphenol

C9H11BrO2 — CID 117333496

IUPAC6-bromo-2-(2-hydroxyethyl)-3-methylphenol
SMILESCc1ccc(Br)c(O)c1CCO
InChIInChI=1S/C9H11BrO2/c1-6-2-3-8(10)9(12)7(6)4-5-11/h2-3,11-12H,4-5H2,1H3
InChIKeyPJSCKTZNEUSCGL-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.00
Rot. Bonds2

About 6-bromo-2-(2-hydroxyethyl)-3-methylphenol

6-bromo-2-(2-hydroxyethyl)-3-methylphenol (PubChem CID 117333496) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 6-bromo-2-(2-hydroxyethyl)-3-methylphenol.

Molecular Properties

Compound Name6-bromo-2-(2-hydroxyethyl)-3-methylphenol
PubChem CID117333496
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name6-bromo-2-(2-hydroxyethyl)-3-methylphenol
SMILESCc1ccc(Br)c(O)c1CCO
InChIInChI=1S/C9H11BrO2/c1-6-2-3-8(10)9(12)7(6)4-5-11/h2-3,11-12H,4-5H2,1H3
InChIKeyPJSCKTZNEUSCGL-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
CID 117341488
2-(2-hydroxyethyl)-3,5,6-trimethylphenol
CID 117114395
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
3-bromo-2,6-dimethylphenol;ethane
CID 142823645
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
2-(3-bromo-2,6-dichlorophenyl)ethanol
CID 69130097
6-bromo-2-ethyl-3-fluorophenol
CID 130713861

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-hydroxyethyl)-3-methylphenol?
The IUPAC name of 6-bromo-2-(2-hydroxyethyl)-3-methylphenol (CID 117333496) is 6-bromo-2-(2-hydroxyethyl)-3-methylphenol.
What is the SMILES notation for 6-bromo-2-(2-hydroxyethyl)-3-methylphenol?
The canonical SMILES for 6-bromo-2-(2-hydroxyethyl)-3-methylphenol is Cc1ccc(Br)c(O)c1CCO.
What is the InChIKey of 6-bromo-2-(2-hydroxyethyl)-3-methylphenol?
The InChIKey is PJSCKTZNEUSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6-2-3-8(10)9(12)7(6)4-5-11/h2-3,11-12H,4-5H2,1H3.
What are the key properties of 6-bromo-2-(2-hydroxyethyl)-3-methylphenol?
6-bromo-2-(2-hydroxyethyl)-3-methylphenol has a molecular weight of 231.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-hydroxyethyl)-3-methylphenol is sourced from PubChem (CID 117333496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).