(5-bromo-4-phenylthiophen-2-yl)methanol

C11H9BrOS — CID 58439055

IUPAC(5-bromo-4-phenylthiophen-2-yl)methanol
SMILESOCc1cc(-c2ccccc2)c(Br)s1
InChIInChI=1S/C11H9BrOS/c12-11-10(6-9(7-13)14-11)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyJHHYTOBAGUTENG-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.67
Rot. Bonds2

About (5-bromo-4-phenylthiophen-2-yl)methanol

(5-bromo-4-phenylthiophen-2-yl)methanol (PubChem CID 58439055) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is (5-bromo-4-phenylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-phenylthiophen-2-yl)methanol
PubChem CID58439055
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name(5-bromo-4-phenylthiophen-2-yl)methanol
SMILESOCc1cc(-c2ccccc2)c(Br)s1
InChIInChI=1S/C11H9BrOS/c12-11-10(6-9(7-13)14-11)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyJHHYTOBAGUTENG-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-phenylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-4-phenylthiophen-2-yl)methanol (CID 58439055) is (5-bromo-4-phenylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-4-phenylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-4-phenylthiophen-2-yl)methanol is OCc1cc(-c2ccccc2)c(Br)s1.
What is the InChIKey of (5-bromo-4-phenylthiophen-2-yl)methanol?
The InChIKey is JHHYTOBAGUTENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-11-10(6-9(7-13)14-11)8-4-2-1-3-5-8/h1-6,13H,7H2.
What are the key properties of (5-bromo-4-phenylthiophen-2-yl)methanol?
(5-bromo-4-phenylthiophen-2-yl)methanol has a molecular weight of 269.16 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-phenylthiophen-2-yl)methanol is sourced from PubChem (CID 58439055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).