2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol

C9H9BrClFO2 — CID 88540299

IUPAC2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(CCO)cc(Cl)c(F)c1Br
InChIInChI=1S/C9H9BrClFO2/c1-14-9-5(2-3-13)4-6(11)8(12)7(9)10/h4,13H,2-3H2,1H3
InChIKeyYCPLTPLZCCZHBO-UHFFFAOYSA-N
MW283.52 g/mol
LogP2.79
Rot. Bonds3

About 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol

2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol (PubChem CID 88540299) has the molecular formula C9H9BrClFO2 and a molecular weight of 283.52 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
PubChem CID88540299
Molecular FormulaC9H9BrClFO2
Molecular Weight283.52 g/mol
Exact Mass281.95
IUPAC Name2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(CCO)cc(Cl)c(F)c1Br
InChIInChI=1S/C9H9BrClFO2/c1-14-9-5(2-3-13)4-6(11)8(12)7(9)10/h4,13H,2-3H2,1H3
InChIKeyYCPLTPLZCCZHBO-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol (CID 88540299) is 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol is COc1c(CCO)cc(Cl)c(F)c1Br.
What is the InChIKey of 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is YCPLTPLZCCZHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO2/c1-14-9-5(2-3-13)4-6(11)8(12)7(9)10/h4,13H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
2-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 283.52 g/mol, XLogP of 2.79, 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-chloro-4-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 88540299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).