(5-bromo-2-iodophenyl)methanol

C7H6BrIO — CID 15339730

IUPAC(5-bromo-2-iodophenyl)methanol
SMILESOCc1cc(Br)ccc1I
InChIInChI=1S/C7H6BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKeyLBMPOOHWJBYWPY-UHFFFAOYSA-N
MW312.93 g/mol
LogP2.55
Rot. Bonds1

About (5-bromo-2-iodophenyl)methanol

(5-bromo-2-iodophenyl)methanol (PubChem CID 15339730) has the molecular formula C7H6BrIO and a molecular weight of 312.93 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)methanol
PubChem CID15339730
Molecular FormulaC7H6BrIO
Molecular Weight312.93 g/mol
Exact Mass311.86
IUPAC Name(5-bromo-2-iodophenyl)methanol
SMILESOCc1cc(Br)ccc1I
InChIInChI=1S/C7H6BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKeyLBMPOOHWJBYWPY-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)methanol?
The IUPAC name of (5-bromo-2-iodophenyl)methanol (CID 15339730) is (5-bromo-2-iodophenyl)methanol.
What is the SMILES notation for (5-bromo-2-iodophenyl)methanol?
The canonical SMILES for (5-bromo-2-iodophenyl)methanol is OCc1cc(Br)ccc1I.
What is the InChIKey of (5-bromo-2-iodophenyl)methanol?
The InChIKey is LBMPOOHWJBYWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2.
What are the key properties of (5-bromo-2-iodophenyl)methanol?
(5-bromo-2-iodophenyl)methanol has a molecular weight of 312.93 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)methanol is sourced from PubChem (CID 15339730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).