(3-bromo-2-fluoro-4-iodophenyl)methanol

C7H5BrFIO — CID 131332722

IUPAC(3-bromo-2-fluoro-4-iodophenyl)methanol
SMILESOCc1ccc(I)c(Br)c1F
InChIInChI=1S/C7H5BrFIO/c8-6-5(10)2-1-4(3-11)7(6)9/h1-2,11H,3H2
InChIKeyLNCGOOVDOFUOQG-UHFFFAOYSA-N
MW330.92 g/mol
LogP2.69
Rot. Bonds1

About (3-bromo-2-fluoro-4-iodophenyl)methanol

(3-bromo-2-fluoro-4-iodophenyl)methanol (PubChem CID 131332722) has the molecular formula C7H5BrFIO and a molecular weight of 330.92 g/mol. Its IUPAC name is (3-bromo-2-fluoro-4-iodophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluoro-4-iodophenyl)methanol
PubChem CID131332722
Molecular FormulaC7H5BrFIO
Molecular Weight330.92 g/mol
Exact Mass329.86
IUPAC Name(3-bromo-2-fluoro-4-iodophenyl)methanol
SMILESOCc1ccc(I)c(Br)c1F
InChIInChI=1S/C7H5BrFIO/c8-6-5(10)2-1-4(3-11)7(6)9/h1-2,11H,3H2
InChIKeyLNCGOOVDOFUOQG-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.92
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluoro-4-iodophenyl)methanol?
The IUPAC name of (3-bromo-2-fluoro-4-iodophenyl)methanol (CID 131332722) is (3-bromo-2-fluoro-4-iodophenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluoro-4-iodophenyl)methanol?
The canonical SMILES for (3-bromo-2-fluoro-4-iodophenyl)methanol is OCc1ccc(I)c(Br)c1F.
What is the InChIKey of (3-bromo-2-fluoro-4-iodophenyl)methanol?
The InChIKey is LNCGOOVDOFUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFIO/c8-6-5(10)2-1-4(3-11)7(6)9/h1-2,11H,3H2.
What are the key properties of (3-bromo-2-fluoro-4-iodophenyl)methanol?
(3-bromo-2-fluoro-4-iodophenyl)methanol has a molecular weight of 330.92 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluoro-4-iodophenyl)methanol is sourced from PubChem (CID 131332722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).