(4-bromophenyl)-thiophen-2-ylmethanol

C11H9BrOS — CID 11300175

IUPAC(4-bromophenyl)-thiophen-2-ylmethanol
SMILESOC(c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C11H9BrOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11,13H
InChIKeyUFRLLNUJMHVVMO-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.59
Rot. Bonds2

About (4-bromophenyl)-thiophen-2-ylmethanol

(4-bromophenyl)-thiophen-2-ylmethanol (PubChem CID 11300175) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is (4-bromophenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-bromophenyl)-thiophen-2-ylmethanol
PubChem CID11300175
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name(4-bromophenyl)-thiophen-2-ylmethanol
SMILESOC(c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C11H9BrOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11,13H
InChIKeyUFRLLNUJMHVVMO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-thiophen-2-ylmethanol?
The IUPAC name of (4-bromophenyl)-thiophen-2-ylmethanol (CID 11300175) is (4-bromophenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (4-bromophenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (4-bromophenyl)-thiophen-2-ylmethanol is OC(c1ccc(Br)cc1)c1cccs1.
What is the InChIKey of (4-bromophenyl)-thiophen-2-ylmethanol?
The InChIKey is UFRLLNUJMHVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11,13H.
What are the key properties of (4-bromophenyl)-thiophen-2-ylmethanol?
(4-bromophenyl)-thiophen-2-ylmethanol has a molecular weight of 269.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 11300175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).