4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol

C9H10BrFO3 — CID 84711326

IUPAC4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
SMILESCC(C)(O)c1cc(Br)c(F)c(O)c1O
InChIInChI=1S/C9H10BrFO3/c1-9(2,14)4-3-5(10)6(11)8(13)7(4)12/h3,12-14H,1-2H3
InChIKeyIEEPWZKNLXODCY-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.23
Rot. Bonds1

About 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol

4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol (PubChem CID 84711326) has the molecular formula C9H10BrFO3 and a molecular weight of 265.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
PubChem CID84711326
Molecular FormulaC9H10BrFO3
Molecular Weight265.08 g/mol
Exact Mass263.98
IUPAC Name4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
SMILESCC(C)(O)c1cc(Br)c(F)c(O)c1O
InChIInChI=1S/C9H10BrFO3/c1-9(2,14)4-3-5(10)6(11)8(13)7(4)12/h3,12-14H,1-2H3
InChIKeyIEEPWZKNLXODCY-UHFFFAOYSA-N
XLogP2.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
CID 169256345
2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
CID 117113950
2,5-dibromo-3,6-difluorophenol
CID 118990727
2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-2,3-difluorophenol
CID 171257945
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol?
The IUPAC name of 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol (CID 84711326) is 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol is CC(C)(O)c1cc(Br)c(F)c(O)c1O.
What is the InChIKey of 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol?
The InChIKey is IEEPWZKNLXODCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO3/c1-9(2,14)4-3-5(10)6(11)8(13)7(4)12/h3,12-14H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol?
4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol has a molecular weight of 265.08 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol is sourced from PubChem (CID 84711326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).