2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol

C10H12BrFO2 — CID 117411755

IUPAC2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Br)cc(F)c(C)c1CCO
InChIInChI=1S/C10H12BrFO2/c1-6-7(3-4-13)10(14-2)8(11)5-9(6)12/h5,13H,3-4H2,1-2H3
InChIKeyUJCHFBLOTVPEAX-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.44
Rot. Bonds3

About 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol

2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol (PubChem CID 117411755) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol
PubChem CID117411755
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Br)cc(F)c(C)c1CCO
InChIInChI=1S/C10H12BrFO2/c1-6-7(3-4-13)10(14-2)8(11)5-9(6)12/h5,13H,3-4H2,1-2H3
InChIKeyUJCHFBLOTVPEAX-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol (CID 117411755) is 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol is COc1c(Br)cc(F)c(C)c1CCO.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol?
The InChIKey is UJCHFBLOTVPEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6-7(3-4-13)10(14-2)8(11)5-9(6)12/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol?
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol has a molecular weight of 263.11 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 117411755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).