(5-bromothiophen-2-yl)-(2-iodophenyl)methanol

C11H8BrIOS — CID 61081917

IUPAC(5-bromothiophen-2-yl)-(2-iodophenyl)methanol
SMILESOC(c1ccc(Br)s1)c1ccccc1I
InChIInChI=1S/C11H8BrIOS/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6,11,14H
InChIKeyIJMOFPXXNWFGAD-UHFFFAOYSA-N
MW395.06 g/mol
LogP4.20
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-iodophenyl)methanol

(5-bromothiophen-2-yl)-(2-iodophenyl)methanol (PubChem CID 61081917) has the molecular formula C11H8BrIOS and a molecular weight of 395.06 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-iodophenyl)methanol
PubChem CID61081917
Molecular FormulaC11H8BrIOS
Molecular Weight395.06 g/mol
Exact Mass393.85
IUPAC Name(5-bromothiophen-2-yl)-(2-iodophenyl)methanol
SMILESOC(c1ccc(Br)s1)c1ccccc1I
InChIInChI=1S/C11H8BrIOS/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6,11,14H
InChIKeyIJMOFPXXNWFGAD-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.06
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromothiophen-2-yl)-(2-iodophenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2-iodophenyl)methanol (CID 61081917) is (5-bromothiophen-2-yl)-(2-iodophenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-iodophenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-iodophenyl)methanol is OC(c1ccc(Br)s1)c1ccccc1I.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-iodophenyl)methanol?
The InChIKey is IJMOFPXXNWFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrIOS/c12-10-6-5-9(15-10)11(14)7-3-1-2-4-8(7)13/h1-6,11,14H.
What are the key properties of (5-bromothiophen-2-yl)-(2-iodophenyl)methanol?
(5-bromothiophen-2-yl)-(2-iodophenyl)methanol has a molecular weight of 395.06 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2-iodophenyl)methanol is sourced from PubChem (CID 61081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).