2-(3-bromo-2,6-dichlorophenyl)ethanol

C8H7BrCl2O — CID 69130097

IUPAC2-(3-bromo-2,6-dichlorophenyl)ethanol
SMILESOCCc1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C8H7BrCl2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2
InChIKeyMLCIPWBYVROPNE-UHFFFAOYSA-N
MW269.95 g/mol
LogP3.29
Rot. Bonds2

About 2-(3-bromo-2,6-dichlorophenyl)ethanol

2-(3-bromo-2,6-dichlorophenyl)ethanol (PubChem CID 69130097) has the molecular formula C8H7BrCl2O and a molecular weight of 269.95 g/mol. Its IUPAC name is 2-(3-bromo-2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-dichlorophenyl)ethanol
PubChem CID69130097
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95 g/mol
Exact Mass267.91
IUPAC Name2-(3-bromo-2,6-dichlorophenyl)ethanol
SMILESOCCc1c(Cl)ccc(Br)c1Cl
InChIInChI=1S/C8H7BrCl2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2
InChIKeyMLCIPWBYVROPNE-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-dichlorophenyl)ethanol (CID 69130097) is 2-(3-bromo-2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-dichlorophenyl)ethanol is OCCc1c(Cl)ccc(Br)c1Cl.
What is the InChIKey of 2-(3-bromo-2,6-dichlorophenyl)ethanol?
The InChIKey is MLCIPWBYVROPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,12H,3-4H2.
What are the key properties of 2-(3-bromo-2,6-dichlorophenyl)ethanol?
2-(3-bromo-2,6-dichlorophenyl)ethanol has a molecular weight of 269.95 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 69130097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).