2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol

C10H12BrFO2 — CID 84711006

IUPAC2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1c(C(C)(C)O)ccc(Br)c1F
InChIInChI=1S/C10H12BrFO2/c1-10(2,13)6-4-5-7(11)8(12)9(6)14-3/h4-5,13H,1-3H3
InChIKeyNUPXGHAQAISNME-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol

2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol (PubChem CID 84711006) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
PubChem CID84711006
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
SMILESCOc1c(C(C)(C)O)ccc(Br)c1F
InChIInChI=1S/C10H12BrFO2/c1-10(2,13)6-4-5-7(11)8(12)9(6)14-3/h4-5,13H,1-3H3
InChIKeyNUPXGHAQAISNME-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117358289
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
4-bromo-N,N,3-trifluoro-2-methoxyaniline
CID 174352734
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol (CID 84711006) is 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol is COc1c(C(C)(C)O)ccc(Br)c1F.
What is the InChIKey of 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol?
The InChIKey is NUPXGHAQAISNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-10(2,13)6-4-5-7(11)8(12)9(6)14-3/h4-5,13H,1-3H3.
What are the key properties of 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol?
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 84711006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).