2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol

C11H13BrF2O2 — CID 117475631

IUPAC2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1c(Br)cc(F)c(F)c1C(C)(C)CO
InChIInChI=1S/C11H13BrF2O2/c1-11(2,5-15)8-9(14)7(13)4-6(12)10(8)16-3/h4,15H,5H2,1-3H3
InChIKeyAKOQOGWBKCBIFA-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol

2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117475631) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID117475631
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1c(Br)cc(F)c(F)c1C(C)(C)CO
InChIInChI=1S/C11H13BrF2O2/c1-11(2,5-15)8-9(14)7(13)4-6(12)10(8)16-3/h4,15H,5H2,1-3H3
InChIKeyAKOQOGWBKCBIFA-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol (CID 117475631) is 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol is COc1c(Br)cc(F)c(F)c1C(C)(C)CO.
What is the InChIKey of 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is AKOQOGWBKCBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-11(2,5-15)8-9(14)7(13)4-6(12)10(8)16-3/h4,15H,5H2,1-3H3.
What are the key properties of 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 295.12 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117475631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).