2-bromo-4,6-dimethylbenzene-1,3-diol

C8H9BrO2 — CID 130032305

IUPAC2-bromo-4,6-dimethylbenzene-1,3-diol
SMILESCc1cc(C)c(O)c(Br)c1O
InChIInChI=1S/C8H9BrO2/c1-4-3-5(2)8(11)6(9)7(4)10/h3,10-11H,1-2H3
InChIKeyXZJUTEICZQGAFC-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.48
Rot. Bonds

About 2-bromo-4,6-dimethylbenzene-1,3-diol

2-bromo-4,6-dimethylbenzene-1,3-diol (PubChem CID 130032305) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-bromo-4,6-dimethylbenzene-1,3-diol.

Molecular Properties

Compound Name2-bromo-4,6-dimethylbenzene-1,3-diol
PubChem CID130032305
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name2-bromo-4,6-dimethylbenzene-1,3-diol
SMILESCc1cc(C)c(O)c(Br)c1O
InChIInChI=1S/C8H9BrO2/c1-4-3-5(2)8(11)6(9)7(4)10/h3,10-11H,1-2H3
InChIKeyXZJUTEICZQGAFC-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-bromo-6-methylbenzene-1,3-diol
CID 84683345
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
3-bromo-2-chloro-5-methylbenzene-1,4-diol
CID 59638989
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
6,7-dibromo-2,4-dimethylnaphthalen-1-ol
CID 25111864
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
3-bromo-4-chloro-2,6-dimethylphenol
CID 86152759
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
CID 84802512

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-dimethylbenzene-1,3-diol?
The IUPAC name of 2-bromo-4,6-dimethylbenzene-1,3-diol (CID 130032305) is 2-bromo-4,6-dimethylbenzene-1,3-diol.
What is the SMILES notation for 2-bromo-4,6-dimethylbenzene-1,3-diol?
The canonical SMILES for 2-bromo-4,6-dimethylbenzene-1,3-diol is Cc1cc(C)c(O)c(Br)c1O.
What is the InChIKey of 2-bromo-4,6-dimethylbenzene-1,3-diol?
The InChIKey is XZJUTEICZQGAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-4-3-5(2)8(11)6(9)7(4)10/h3,10-11H,1-2H3.
What are the key properties of 2-bromo-4,6-dimethylbenzene-1,3-diol?
2-bromo-4,6-dimethylbenzene-1,3-diol has a molecular weight of 217.06 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-dimethylbenzene-1,3-diol is sourced from PubChem (CID 130032305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).