(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol

C9H10BrFO2 — CID 83000611

IUPAC(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CBr)cc1F
InChIInChI=1S/C9H10BrFO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,12H,5H2,1H3/t8-/m0/s1
InChIKeyQMDJXHXWLAYLAK-QMMMGPOBSA-N
MW249.08 g/mol
LogP2.26
Rot. Bonds3

About (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol

(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 83000611) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID83000611
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](O)CBr)cc1F
InChIInChI=1S/C9H10BrFO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,12H,5H2,1H3/t8-/m0/s1
InChIKeyQMDJXHXWLAYLAK-QMMMGPOBSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867
(1R)-2-azido-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83093152

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 83000611) is (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc([C@@H](O)CBr)cc1F.
What is the InChIKey of (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is QMDJXHXWLAYLAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,8,12H,5H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol?
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 249.08 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 83000611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).