6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

C10H11BrF2O2 — CID 117451003

IUPAC6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C10H11BrF2O2/c1-10(2,4-14)7-8(13)6(12)3-5(11)9(7)15/h3,14-15H,4H2,1-2H3
InChIKeyXCTHBDCJVNKDBG-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.70
Rot. Bonds2

About 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol

6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (PubChem CID 117451003) has the molecular formula C10H11BrF2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
PubChem CID117451003
Molecular FormulaC10H11BrF2O2
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
SMILESCC(C)(CO)c1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C10H11BrF2O2/c1-10(2,4-14)7-8(13)6(12)3-5(11)9(7)15/h3,14-15H,4H2,1-2H3
InChIKeyXCTHBDCJVNKDBG-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
CID 117113950
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2,6-dibromo-3,4-difluorophenol
CID 84814133
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714
4-chloro-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117337246
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-bromo-3,4-difluorophenol
CID 131256767
2-(2,5-difluoro-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117305565
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The IUPAC name of 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol (CID 117451003) is 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The canonical SMILES for 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is CC(C)(CO)c1c(O)c(Br)cc(F)c1F.
What is the InChIKey of 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
The InChIKey is XCTHBDCJVNKDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2/c1-10(2,4-14)7-8(13)6(12)3-5(11)9(7)15/h3,14-15H,4H2,1-2H3.
What are the key properties of 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol?
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol has a molecular weight of 281.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 117451003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).