2-(4-bromophenyl)-1-(2-iodophenyl)ethanol

C14H12BrIO — CID 63016179

IUPAC2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccccc1I
InChIInChI=1S/C14H12BrIO/c15-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)16/h1-8,14,17H,9H2
InChIKeyISQIEISVWJVDBK-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol

2-(4-bromophenyl)-1-(2-iodophenyl)ethanol (PubChem CID 63016179) has the molecular formula C14H12BrIO and a molecular weight of 403.06 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
PubChem CID63016179
Molecular FormulaC14H12BrIO
Molecular Weight403.06 g/mol
Exact Mass401.91
IUPAC Name2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccccc1I
InChIInChI=1S/C14H12BrIO/c15-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)16/h1-8,14,17H,9H2
InChIKeyISQIEISVWJVDBK-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-1-(2-iodophenyl)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-(2-aminophenyl)-2-(4-bromophenyl)ethanol
CID 64832586
1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
CID 65476845
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
1-(2-iodophenyl)-2-pyridin-2-ylethanol
CID 66459481
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
CID 115782342
1-(1-bromo-2-phenylethyl)-2-iodobenzene
CID 63529217
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol (CID 63016179) is 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol is OC(Cc1ccc(Br)cc1)c1ccccc1I.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol?
The InChIKey is ISQIEISVWJVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO/c15-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)16/h1-8,14,17H,9H2.
What are the key properties of 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol?
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol has a molecular weight of 403.06 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 63016179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).