1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol

C12H9BrCl2O2 — CID 63943607

IUPAC1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1occc1Br
InChIInChI=1S/C12H9BrCl2O2/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2
InChIKeyLZDMHJHTHCFQFB-UHFFFAOYSA-N
MW336.01 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol

1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 63943607) has the molecular formula C12H9BrCl2O2 and a molecular weight of 336.01 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID63943607
Molecular FormulaC12H9BrCl2O2
Molecular Weight336.01 g/mol
Exact Mass333.92
IUPAC Name1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1occc1Br
InChIInChI=1S/C12H9BrCl2O2/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2
InChIKeyLZDMHJHTHCFQFB-UHFFFAOYSA-N
XLogP4.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800869
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63942062
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
CID 106886287
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
CID 66160380
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanol
CID 62489843
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
CID 115506132
2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethanol
CID 62606143

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol (CID 63943607) is 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol is OC(Cc1c(Cl)cccc1Cl)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is LZDMHJHTHCFQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2O2/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol?
1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 336.01 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 63943607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).