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

C14H12BrIO — CID 65476845

IUPAC1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ccccc1Br
InChIInChI=1S/C14H12BrIO/c15-13-4-2-1-3-12(13)14(17)9-10-5-7-11(16)8-6-10/h1-8,14,17H,9H2
InChIKeyMNLSFJRPDAMISD-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.33
Rot. Bonds3

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

1-(2-bromophenyl)-2-(4-iodophenyl)ethanol (PubChem CID 65476845) has the molecular formula C14H12BrIO and a molecular weight of 403.06 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
PubChem CID65476845
Molecular FormulaC14H12BrIO
Molecular Weight403.06 g/mol
Exact Mass401.91
IUPAC Name1-(2-bromophenyl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1ccccc1Br
InChIInChI=1S/C14H12BrIO/c15-13-4-2-1-3-12(13)14(17)9-10-5-7-11(16)8-6-10/h1-8,14,17H,9H2
InChIKeyMNLSFJRPDAMISD-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'}

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Related Compounds

2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179
1-(2-bromophenyl)-2-(furan-3-yl)ethanol
CID 83171625
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
1-(2-aminophenyl)-2-(4-bromophenyl)ethanol
CID 64832586
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
2-benzyl-3-[(4-iodophenyl)methyl]butanedioic acid
CID 21364662
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol (CID 65476845) is 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol is OC(Cc1ccc(I)cc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol?
The InChIKey is MNLSFJRPDAMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO/c15-13-4-2-1-3-12(13)14(17)9-10-5-7-11(16)8-6-10/h1-8,14,17H,9H2.
What are the key properties of 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol?
1-(2-bromophenyl)-2-(4-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 1-(2-bromophenyl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 65476845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).