(2-bromophenyl)-thiophen-2-ylmethanone

C11H7BrOS — CID 21428794

IUPAC(2-bromophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ccccc1Br
InChIInChI=1S/C11H7BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7H
InChIKeyUBIACPJPSJPEDB-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.74
Rot. Bonds2

About (2-bromophenyl)-thiophen-2-ylmethanone

(2-bromophenyl)-thiophen-2-ylmethanone (PubChem CID 21428794) has the molecular formula C11H7BrOS and a molecular weight of 267.15 g/mol. Its IUPAC name is (2-bromophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-thiophen-2-ylmethanone
PubChem CID21428794
Molecular FormulaC11H7BrOS
Molecular Weight267.15 g/mol
Exact Mass265.94
IUPAC Name(2-bromophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ccccc1Br
InChIInChI=1S/C11H7BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7H
InChIKeyUBIACPJPSJPEDB-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-bromophenyl)-thiophen-2-ylmethanone (CID 21428794) is (2-bromophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-bromophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-bromophenyl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-thiophen-2-ylmethanone?
The InChIKey is UBIACPJPSJPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrOS/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h1-7H.
What are the key properties of (2-bromophenyl)-thiophen-2-ylmethanone?
(2-bromophenyl)-thiophen-2-ylmethanone has a molecular weight of 267.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 21428794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).