1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol

C16H11BrClFO2 — CID 107894433

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrClFO2/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-12(18)13(19)6-9/h1-6,8,14,20H,7H2
InChIKeyOEIWKFSQDMNUJR-UHFFFAOYSA-N
MW369.62 g/mol
LogP5.26
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol

1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol (PubChem CID 107894433) has the molecular formula C16H11BrClFO2 and a molecular weight of 369.62 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
PubChem CID107894433
Molecular FormulaC16H11BrClFO2
Molecular Weight369.62 g/mol
Exact Mass367.96
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H11BrClFO2/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-12(18)13(19)6-9/h1-6,8,14,20H,7H2
InChIKeyOEIWKFSQDMNUJR-UHFFFAOYSA-N
XLogP5.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-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

1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 105083427
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol (CID 107894433) is 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol is OC(Cc1ccc(Cl)c(F)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
The InChIKey is OEIWKFSQDMNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFO2/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-12(18)13(19)6-9/h1-6,8,14,20H,7H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol?
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol has a molecular weight of 369.62 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 107894433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).