2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol

C9H10BrFO2 — CID 117375122

IUPAC2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(F)c1CCO
InChIInChI=1S/C9H10BrFO2/c1-13-8-3-2-7(10)9(11)6(8)4-5-12/h2-3,12H,4-5H2,1H3
InChIKeyMUDALRPZNJQMHB-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol

2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 117375122) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
PubChem CID117375122
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(F)c1CCO
InChIInChI=1S/C9H10BrFO2/c1-13-8-3-2-7(10)9(11)6(8)4-5-12/h2-3,12H,4-5H2,1H3
InChIKeyMUDALRPZNJQMHB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol (CID 117375122) is 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol is COc1ccc(Br)c(F)c1CCO.
What is the InChIKey of 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is MUDALRPZNJQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-13-8-3-2-7(10)9(11)6(8)4-5-12/h2-3,12H,4-5H2,1H3.
What are the key properties of 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 249.08 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 117375122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).