2-bromo-3-(1-hydroxyethyl)-6-methylphenol

C9H11BrO2 — CID 117333512

IUPAC2-bromo-3-(1-hydroxyethyl)-6-methylphenol
SMILESCc1ccc(C(C)O)c(Br)c1O
InChIInChI=1S/C9H11BrO2/c1-5-3-4-7(6(2)11)8(10)9(5)12/h3-4,6,11-12H,1-2H3
InChIKeyIUHHIBUFZHBJLO-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.52
Rot. Bonds1

About 2-bromo-3-(1-hydroxyethyl)-6-methylphenol

2-bromo-3-(1-hydroxyethyl)-6-methylphenol (PubChem CID 117333512) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-3-(1-hydroxyethyl)-6-methylphenol.

Molecular Properties

Compound Name2-bromo-3-(1-hydroxyethyl)-6-methylphenol
PubChem CID117333512
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-3-(1-hydroxyethyl)-6-methylphenol
SMILESCc1ccc(C(C)O)c(Br)c1O
InChIInChI=1S/C9H11BrO2/c1-5-3-4-7(6(2)11)8(10)9(5)12/h3-4,6,11-12H,1-2H3
InChIKeyIUHHIBUFZHBJLO-UHFFFAOYSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
2-bromo-3-[(1R)-1-hydroxyethyl]phenol
CID 118486754
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2,6-dibromo-3-[1-(2,4-dibromo-3-hydroxyphenyl)ethyl]phenol
CID 90998864
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
CID 117282016
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(1-hydroxyethyl)-6-methyl-3-methylsulfanylphenol
CID 117288033

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(1-hydroxyethyl)-6-methylphenol?
The IUPAC name of 2-bromo-3-(1-hydroxyethyl)-6-methylphenol (CID 117333512) is 2-bromo-3-(1-hydroxyethyl)-6-methylphenol.
What is the SMILES notation for 2-bromo-3-(1-hydroxyethyl)-6-methylphenol?
The canonical SMILES for 2-bromo-3-(1-hydroxyethyl)-6-methylphenol is Cc1ccc(C(C)O)c(Br)c1O.
What is the InChIKey of 2-bromo-3-(1-hydroxyethyl)-6-methylphenol?
The InChIKey is IUHHIBUFZHBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-5-3-4-7(6(2)11)8(10)9(5)12/h3-4,6,11-12H,1-2H3.
What are the key properties of 2-bromo-3-(1-hydroxyethyl)-6-methylphenol?
2-bromo-3-(1-hydroxyethyl)-6-methylphenol has a molecular weight of 231.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(1-hydroxyethyl)-6-methylphenol is sourced from PubChem (CID 117333512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).