2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol

C11H14BrFO2 — CID 117443682

IUPAC2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(Br)cc(C(C)(C)CO)c1F
InChIInChI=1S/C11H14BrFO2/c1-11(2,6-14)8-4-7(12)5-9(15-3)10(8)13/h4-5,14H,6H2,1-3H3
InChIKeyXFQBENLNQSTKCK-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.87
Rot. Bonds3

About 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol

2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117443682) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID117443682
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(Br)cc(C(C)(C)CO)c1F
InChIInChI=1S/C11H14BrFO2/c1-11(2,6-14)8-4-7(12)5-9(15-3)10(8)13/h4-5,14H,6H2,1-3H3
InChIKeyXFQBENLNQSTKCK-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
CID 117439695
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117442386
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol (CID 117443682) is 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol is COc1cc(Br)cc(C(C)(C)CO)c1F.
What is the InChIKey of 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is XFQBENLNQSTKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-11(2,6-14)8-4-7(12)5-9(15-3)10(8)13/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 277.13 g/mol, XLogP of 2.87, 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-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117443682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).