1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol

C10H12BrFO2 — CID 79743530

IUPAC1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-6(14-2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,13H,1-2H3
InChIKeyHPHSXTWJJSXRAP-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.66
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol

1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol (PubChem CID 79743530) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
PubChem CID79743530
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFO2/c1-6(14-2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,13H,1-2H3
InChIKeyHPHSXTWJJSXRAP-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 79616894
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol
CID 101161793
2-(5-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 82974010
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol (CID 79743530) is 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol is COC(C)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol?
The InChIKey is HPHSXTWJJSXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6(14-2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,13H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol?
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol has a molecular weight of 263.11 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol is sourced from PubChem (CID 79743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).