1-(3-bromo-5-fluoro-2-methylphenyl)ethanol

C9H10BrFO — CID 84696341

IUPAC1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
SMILESCc1c(Br)cc(F)cc1C(C)O
InChIInChI=1S/C9H10BrFO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4,6,12H,1-2H3
InChIKeyIFXKHTBUWOUFRH-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.95
Rot. Bonds1

About 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol

1-(3-bromo-5-fluoro-2-methylphenyl)ethanol (PubChem CID 84696341) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
PubChem CID84696341
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
SMILESCc1c(Br)cc(F)cc1C(C)O
InChIInChI=1S/C9H10BrFO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4,6,12H,1-2H3
InChIKeyIFXKHTBUWOUFRH-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
1-bromo-3-(difluoromethyl)-5-fluoro-2-methylbenzene
CID 131267533
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
CID 84704874
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
CID 131118932
1-(6-fluoro-2,4-dimethylquinolin-8-yl)ethanol
CID 82575954
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117406507
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanol
CID 65439372

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol (CID 84696341) is 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol is Cc1c(Br)cc(F)cc1C(C)O.
What is the InChIKey of 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol?
The InChIKey is IFXKHTBUWOUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4,6,12H,1-2H3.
What are the key properties of 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol?
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol has a molecular weight of 233.08 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 84696341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).