4-bromo-2,3,5-trimethylphenol

C9H11BrO — CID 3629334

IUPAC4-bromo-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1Br
InChIInChI=1S/C9H11BrO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
InChIKeyKHQCLZZWQARYJF-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.08
Rot. Bonds

About 4-bromo-2,3,5-trimethylphenol

4-bromo-2,3,5-trimethylphenol (PubChem CID 3629334) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-bromo-2,3,5-trimethylphenol.

Molecular Properties

Compound Name4-bromo-2,3,5-trimethylphenol
PubChem CID3629334
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name4-bromo-2,3,5-trimethylphenol
SMILESCc1cc(O)c(C)c(C)c1Br
InChIInChI=1S/C9H11BrO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3
InChIKeyKHQCLZZWQARYJF-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-amino-4-bromo-5-methylbenzene-1,2-diol
CID 84683348
2,5-dibromo-3-methylphenol
CID 84807682
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3,5-dimethylphenol
CID 131158931
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-[(1S)-1-amino-2,2-dimethylpropyl]-4-bromo-3,5-dimethylphenol;hydrochloride
CID 171254297
2-bromo-5-fluoro-3-methylphenol
CID 118995128
carbonic acid;2,3,5-trimethylbenzene-1,4-diol
CID 174747915
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3,5-trimethylphenol?
The IUPAC name of 4-bromo-2,3,5-trimethylphenol (CID 3629334) is 4-bromo-2,3,5-trimethylphenol.
What is the SMILES notation for 4-bromo-2,3,5-trimethylphenol?
The canonical SMILES for 4-bromo-2,3,5-trimethylphenol is Cc1cc(O)c(C)c(C)c1Br.
What is the InChIKey of 4-bromo-2,3,5-trimethylphenol?
The InChIKey is KHQCLZZWQARYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-5-4-8(11)6(2)7(3)9(5)10/h4,11H,1-3H3.
What are the key properties of 4-bromo-2,3,5-trimethylphenol?
4-bromo-2,3,5-trimethylphenol has a molecular weight of 215.09 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3,5-trimethylphenol is sourced from PubChem (CID 3629334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).