2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol

C12H9BrClIOS — CID 115833911

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1csc(I)c1
InChIInChI=1S/C12H9BrClIOS/c13-9-2-1-7(10(14)5-9)3-11(16)8-4-12(15)17-6-8/h1-2,4-6,11,16H,3H2
InChIKeyAKQSSTZGHFXTNV-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.04
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol (PubChem CID 115833911) has the molecular formula C12H9BrClIOS and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol
PubChem CID115833911
Molecular FormulaC12H9BrClIOS
Molecular Weight443.53 g/mol
Exact Mass441.83
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1csc(I)c1
InChIInChI=1S/C12H9BrClIOS/c13-9-2-1-7(10(14)5-9)3-11(16)8-4-12(15)17-6-8/h1-2,4-6,11,16H,3H2
InChIKeyAKQSSTZGHFXTNV-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443505
2-(2-chloro-4-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 106867801
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867461
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
[2-(4-bromo-2-chlorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol (CID 115833911) is 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol is OC(Cc1ccc(Br)cc1Cl)c1csc(I)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
The InChIKey is AKQSSTZGHFXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClIOS/c13-9-2-1-7(10(14)5-9)3-11(16)8-4-12(15)17-6-8/h1-2,4-6,11,16H,3H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol has a molecular weight of 443.53 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol is sourced from PubChem (CID 115833911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).