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

C11H14BrFO — CID 117406507

IUPAC2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Br)cc(F)cc1C(C)(C)CO
InChIInChI=1S/C11H14BrFO/c1-7-9(11(2,3)6-14)4-8(13)5-10(7)12/h4-5,14H,6H2,1-3H3
InChIKeyNRPZKQUSTDLODZ-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.17
Rot. Bonds2

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

2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol (PubChem CID 117406507) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
PubChem CID117406507
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
SMILESCc1c(Br)cc(F)cc1C(C)(C)CO
InChIInChI=1S/C11H14BrFO/c1-7-9(11(2,3)6-14)4-8(13)5-10(7)12/h4-5,14H,6H2,1-3H3
InChIKeyNRPZKQUSTDLODZ-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-fluoro-2-methylphenyl)-3-methylbutanoic acid
CID 117466909
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061
2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117414933
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
1-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 117404058
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
3-(3-bromo-5-fluoro-2-hydroxyphenyl)-3-methylbutanoic acid
CID 117470099
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol (CID 117406507) is 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol is Cc1c(Br)cc(F)cc1C(C)(C)CO.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is NRPZKQUSTDLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-7-9(11(2,3)6-14)4-8(13)5-10(7)12/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol?
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 261.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117406507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).