(4-bromothiophen-2-yl)methanol

C5H5BrOS — CID 2795484

IUPAC(4-bromothiophen-2-yl)methanol
SMILESOCc1cc(Br)cs1
InChIInChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2
InChIKeyPXZNJHHUYJRFPZ-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.00
Rot. Bonds1

About (4-bromothiophen-2-yl)methanol

(4-bromothiophen-2-yl)methanol (PubChem CID 2795484) has the molecular formula C5H5BrOS and a molecular weight of 193.06 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methanol
PubChem CID2795484
Molecular FormulaC5H5BrOS
Molecular Weight193.06 g/mol
Exact Mass191.92
IUPAC Name(4-bromothiophen-2-yl)methanol
SMILESOCc1cc(Br)cs1
InChIInChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2
InChIKeyPXZNJHHUYJRFPZ-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)methanol?
The IUPAC name of (4-bromothiophen-2-yl)methanol (CID 2795484) is (4-bromothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)methanol?
The canonical SMILES for (4-bromothiophen-2-yl)methanol is OCc1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)methanol?
The InChIKey is PXZNJHHUYJRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrOS/c6-4-1-5(2-7)8-3-4/h1,3,7H,2H2.
What are the key properties of (4-bromothiophen-2-yl)methanol?
(4-bromothiophen-2-yl)methanol has a molecular weight of 193.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)methanol is sourced from PubChem (CID 2795484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).