2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol

C14H11BrFIO — CID 115786724

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1Br)c1cccc(I)c1
InChIInChI=1S/C14H11BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7H2
InChIKeyVITQSVKHVWALLC-UHFFFAOYSA-N
MW421.05 g/mol
LogP4.47
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol (PubChem CID 115786724) has the molecular formula C14H11BrFIO and a molecular weight of 421.05 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
PubChem CID115786724
Molecular FormulaC14H11BrFIO
Molecular Weight421.05 g/mol
Exact Mass419.90
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1Br)c1cccc(I)c1
InChIInChI=1S/C14H11BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7H2
InChIKeyVITQSVKHVWALLC-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.05
LogP ≤ 54.47
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-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
CID 65146024
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanol
CID 62607396
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol (CID 115786724) is 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol is OC(Cc1ccc(F)cc1Br)c1cccc(I)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol?
The InChIKey is VITQSVKHVWALLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFIO/c15-13-8-11(16)5-4-9(13)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol has a molecular weight of 421.05 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol is sourced from PubChem (CID 115786724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).