2-(2-bromo-6-iodophenyl)propan-2-ol

C9H10BrIO — CID 175668409

IUPAC2-(2-bromo-6-iodophenyl)propan-2-ol
SMILESCC(C)(O)c1c(Br)cccc1I
InChIInChI=1S/C9H10BrIO/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3
InChIKeyURYXLWNMQIPAGZ-UHFFFAOYSA-N
MW340.99 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-bromo-6-iodophenyl)propan-2-ol

2-(2-bromo-6-iodophenyl)propan-2-ol (PubChem CID 175668409) has the molecular formula C9H10BrIO and a molecular weight of 340.99 g/mol. Its IUPAC name is 2-(2-bromo-6-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-6-iodophenyl)propan-2-ol
PubChem CID175668409
Molecular FormulaC9H10BrIO
Molecular Weight340.99 g/mol
Exact Mass339.90
IUPAC Name2-(2-bromo-6-iodophenyl)propan-2-ol
SMILESCC(C)(O)c1c(Br)cccc1I
InChIInChI=1S/C9H10BrIO/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3
InChIKeyURYXLWNMQIPAGZ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 53.28
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

(2S)-2-amino-2-(2,6-dibromophenyl)propan-1-ol
CID 131218128
azane;1-bromo-2-iodobenzene
CID 139491171
1-bromo-3-iodo-2-methylsulfonylbenzene
CID 175837376
(2-bromo-6-iodophenyl)-trimethylsilane
CID 11279692
3-bromo-2-tert-butylbenzenesulfonic acid
CID 174858905
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
1-bromo-2-iodobenzene;molecular nitrogen
CID 155706234
N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 46915281
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094
2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 130041661
2-[3-bromo-2-[2-bromo-6-(2-methoxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 84820615

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-iodophenyl)propan-2-ol?
The IUPAC name of 2-(2-bromo-6-iodophenyl)propan-2-ol (CID 175668409) is 2-(2-bromo-6-iodophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromo-6-iodophenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromo-6-iodophenyl)propan-2-ol is CC(C)(O)c1c(Br)cccc1I.
What is the InChIKey of 2-(2-bromo-6-iodophenyl)propan-2-ol?
The InChIKey is URYXLWNMQIPAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrIO/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5,12H,1-2H3.
What are the key properties of 2-(2-bromo-6-iodophenyl)propan-2-ol?
2-(2-bromo-6-iodophenyl)propan-2-ol has a molecular weight of 340.99 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-iodophenyl)propan-2-ol is sourced from PubChem (CID 175668409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).