1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol

C16H12BrClO2 — CID 114723015

IUPAC1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12BrClO2/c1-16(19,11-2-4-12(17)5-3-11)15-9-10-8-13(18)6-7-14(10)20-15/h2-9,19H,1H3
InChIKeyRKOIKOWALUYLET-UHFFFAOYSA-N
MW351.63 g/mol
LogP5.10
Rot. Bonds2

About 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol

1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol (PubChem CID 114723015) has the molecular formula C16H12BrClO2 and a molecular weight of 351.63 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
PubChem CID114723015
Molecular FormulaC16H12BrClO2
Molecular Weight351.63 g/mol
Exact Mass349.97
IUPAC Name1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol
SMILESCC(O)(c1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H12BrClO2/c1-16(19,11-2-4-12(17)5-3-11)15-9-10-8-13(18)6-7-14(10)20-15/h2-9,19H,1H3
InChIKeyRKOIKOWALUYLET-UHFFFAOYSA-N
XLogP5.10
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)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-(5-chloro-1-benzofuran-2-yl)-1-(4-methylphenyl)ethanol
CID 114722955
1-(5-chloro-1-benzofuran-2-yl)-1-(3,5-difluorophenyl)ethanol
CID 114724291
1-(5-chloro-1-benzofuran-2-yl)-1-(3-methylphenyl)ethanol
CID 114722975
1-(5-chloro-1-benzofuran-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114723050
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
1-(5-fluoro-1-benzofuran-2-yl)-1-phenylethanol
CID 114722950
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114724299
4-[1-hydroxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]benzonitrile
CID 114724520
1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 55187137
2-amino-1-(5-chloro-1-benzofuran-2-yl)-1-phenylethanol
CID 114724604
(4-bromophenyl)-bis(5-chloro-2-methylphenyl)methanol
CID 162718798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol (CID 114723015) is 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol is CC(O)(c1ccc(Br)cc1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol?
The InChIKey is RKOIKOWALUYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO2/c1-16(19,11-2-4-12(17)5-3-11)15-9-10-8-13(18)6-7-14(10)20-15/h2-9,19H,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol?
1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol has a molecular weight of 351.63 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(5-chloro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114723015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).