(2-bromophenyl)-thiophen-2-ylmethanol

C11H9BrOS — CID 21428786

IUPAC(2-bromophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1ccccc1Br
InChIInChI=1S/C11H9BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7,11,13H
InChIKeyWUBQTPRBDVYFQH-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.59
Rot. Bonds2

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

(2-bromophenyl)-thiophen-2-ylmethanol (PubChem CID 21428786) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is (2-bromophenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-bromophenyl)-thiophen-2-ylmethanol
PubChem CID21428786
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name(2-bromophenyl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1ccccc1Br
InChIInChI=1S/C11H9BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7,11,13H
InChIKeyWUBQTPRBDVYFQH-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 (2-bromophenyl)-thiophen-2-ylmethanol?
The IUPAC name of (2-bromophenyl)-thiophen-2-ylmethanol (CID 21428786) is (2-bromophenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-bromophenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-bromophenyl)-thiophen-2-ylmethanol is OC(c1cccs1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-thiophen-2-ylmethanol?
The InChIKey is WUBQTPRBDVYFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7,11,13H.
What are the key properties of (2-bromophenyl)-thiophen-2-ylmethanol?
(2-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 (2-bromophenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 21428786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).