6-bromo-2,3-dimethylphenol

C8H9BrO — CID 22345930

IUPAC6-bromo-2,3-dimethylphenol
SMILESCc1ccc(Br)c(O)c1C
InChIInChI=1S/C8H9BrO/c1-5-3-4-7(9)8(10)6(5)2/h3-4,10H,1-2H3
InChIKeyOMWIEKUXKZIWCU-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.77
Rot. Bonds

About 6-bromo-2,3-dimethylphenol

6-bromo-2,3-dimethylphenol (PubChem CID 22345930) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 6-bromo-2,3-dimethylphenol.

Molecular Properties

Compound Name6-bromo-2,3-dimethylphenol
PubChem CID22345930
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name6-bromo-2,3-dimethylphenol
SMILESCc1ccc(Br)c(O)c1C
InChIInChI=1S/C8H9BrO/c1-5-3-4-7(9)8(10)6(5)2/h3-4,10H,1-2H3
InChIKeyOMWIEKUXKZIWCU-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2,3-dimethylphenol 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

6-Bromo-2-naphthalenol
CID 27144
2-Naphthol, 1,6-dibromo-
CID 27768
2,6-Dibromo-1,5-naphthalenediol
CID 96260
2,4-Dibromo-1-naphthol
CID 94878
2-Bromo-4-phenylphenol
CID 27297
Vermella
CID 203726
2-Naphthalenol, 3-bromo-
CID 45943
2-Bromo-4-tert-butylphenol
CID 75147
2-Bromo-4,6-di-tert-butylphenol
CID 519822
Cymopol
CID 5386672
2-Bromo-5-methylphenol
CID 228638
2-Bromo-4,6-dimethylphenol
CID 299976

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethylphenol?
The IUPAC name of 6-bromo-2,3-dimethylphenol (CID 22345930) is 6-bromo-2,3-dimethylphenol.
What is the SMILES notation for 6-bromo-2,3-dimethylphenol?
The canonical SMILES for 6-bromo-2,3-dimethylphenol is Cc1ccc(Br)c(O)c1C.
What is the InChIKey of 6-bromo-2,3-dimethylphenol?
The InChIKey is OMWIEKUXKZIWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-5-3-4-7(9)8(10)6(5)2/h3-4,10H,1-2H3.
What are the key properties of 6-bromo-2,3-dimethylphenol?
6-bromo-2,3-dimethylphenol has a molecular weight of 201.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dimethylphenol is sourced from PubChem (CID 22345930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).