1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol

C12H9BrClFO2 — CID 114851950

IUPAC1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClFO2/c13-12-4-3-11(17-12)10(16)5-7-1-2-8(14)6-9(7)15/h1-4,6,10,16H,5H2
InChIKeyBKJKOHUYAFRRKD-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.11
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol

1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol (PubChem CID 114851950) has the molecular formula C12H9BrClFO2 and a molecular weight of 319.56 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
PubChem CID114851950
Molecular FormulaC12H9BrClFO2
Molecular Weight319.56 g/mol
Exact Mass317.95
IUPAC Name1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClFO2/c13-12-4-3-11(17-12)10(16)5-7-1-2-8(14)6-9(7)15/h1-4,6,10,16H,5H2
InChIKeyBKJKOHUYAFRRKD-UHFFFAOYSA-N
XLogP4.11
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)ethanol
CID 65150871
1-(5-bromofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 63016419
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 114852697
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
2-(4-chloro-2-fluorophenyl)-1-(4-chlorothiophen-2-yl)ethanol
CID 114852395
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol (CID 114851950) is 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol is OC(Cc1ccc(Cl)cc1F)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol?
The InChIKey is BKJKOHUYAFRRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFO2/c13-12-4-3-11(17-12)10(16)5-7-1-2-8(14)6-9(7)15/h1-4,6,10,16H,5H2.
What are the key properties of 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol?
1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol has a molecular weight of 319.56 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(4-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 114851950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).