2-(4-bromo-2-fluoro-3-methylphenyl)ethanol

C9H10BrFO — CID 117337325

IUPAC2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
SMILESCc1c(Br)ccc(CCO)c1F
InChIInChI=1S/C9H10BrFO/c1-6-8(10)3-2-7(4-5-12)9(6)11/h2-3,12H,4-5H2,1H3
InChIKeyVZKHELFRNHLHFS-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol

2-(4-bromo-2-fluoro-3-methylphenyl)ethanol (PubChem CID 117337325) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
PubChem CID117337325
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name2-(4-bromo-2-fluoro-3-methylphenyl)ethanol
SMILESCc1c(Br)ccc(CCO)c1F
InChIInChI=1S/C9H10BrFO/c1-6-8(10)3-2-7(4-5-12)9(6)11/h2-3,12H,4-5H2,1H3
InChIKeyVZKHELFRNHLHFS-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-fluorophenyl)ethanol
CID 59290439
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
CID 131110604
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
CID 117380280
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
CID 117276910
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-bromo-4-(1-bromoethyl)-3-fluoro-2-methylbenzene
CID 171643436

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol (CID 117337325) is 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol is Cc1c(Br)ccc(CCO)c1F.
What is the InChIKey of 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol?
The InChIKey is VZKHELFRNHLHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6-8(10)3-2-7(4-5-12)9(6)11/h2-3,12H,4-5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol?
2-(4-bromo-2-fluoro-3-methylphenyl)ethanol has a molecular weight of 233.08 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 117337325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).