2-bromo-4-fluoro-5-methylphenol

C7H6BrFO — CID 84672831

IUPAC2-bromo-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(Br)cc1F
InChIInChI=1S/C7H6BrFO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,1H3
InChIKeyOQDPFYLNWVPEDE-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.60
Rot. Bonds

About 2-bromo-4-fluoro-5-methylphenol

2-bromo-4-fluoro-5-methylphenol (PubChem CID 84672831) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-methylphenol
PubChem CID84672831
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name2-bromo-4-fluoro-5-methylphenol
SMILESCc1cc(O)c(Br)cc1F
InChIInChI=1S/C7H6BrFO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,1H3
InChIKeyOQDPFYLNWVPEDE-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2,5-dimethylphenol
CID 22627623
2-bromo-4-fluoro-5-methylbenzoyl chloride
CID 171033249
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-bromo-4-fluoro-5-(hydroxymethyl)phenol
CID 118806278
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
2-bromo-4-chloro-5-fluorophenol
CID 18997596
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
CID 154676898
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-methylphenol?
The IUPAC name of 2-bromo-4-fluoro-5-methylphenol (CID 84672831) is 2-bromo-4-fluoro-5-methylphenol.
What is the SMILES notation for 2-bromo-4-fluoro-5-methylphenol?
The canonical SMILES for 2-bromo-4-fluoro-5-methylphenol is Cc1cc(O)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-methylphenol?
The InChIKey is OQDPFYLNWVPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,1H3.
What are the key properties of 2-bromo-4-fluoro-5-methylphenol?
2-bromo-4-fluoro-5-methylphenol has a molecular weight of 205.03 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-methylphenol is sourced from PubChem (CID 84672831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).