(4-bromo-1-benzothiophen-2-yl)methanol

C9H7BrOS — CID 13466536

IUPAC(4-bromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(Br)cccc2s1
InChIInChI=1S/C9H7BrOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2
InChIKeyUXLCQGNNHYJLEO-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.16
Rot. Bonds1

About (4-bromo-1-benzothiophen-2-yl)methanol

(4-bromo-1-benzothiophen-2-yl)methanol (PubChem CID 13466536) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is (4-bromo-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-benzothiophen-2-yl)methanol
PubChem CID13466536
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name(4-bromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(Br)cccc2s1
InChIInChI=1S/C9H7BrOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2
InChIKeyUXLCQGNNHYJLEO-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-benzothiophen-2-yl)methanol (CID 13466536) is (4-bromo-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-benzothiophen-2-yl)methanol is OCc1cc2c(Br)cccc2s1.
What is the InChIKey of (4-bromo-1-benzothiophen-2-yl)methanol?
The InChIKey is UXLCQGNNHYJLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2.
What are the key properties of (4-bromo-1-benzothiophen-2-yl)methanol?
(4-bromo-1-benzothiophen-2-yl)methanol has a molecular weight of 243.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 13466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).