(3-bromophenyl)-(2-methylthiophen-3-yl)methanone

C12H9BrOS — CID 102830603

IUPAC(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrOS/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyUFQMSLSCRXTDKU-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.05
Rot. Bonds2

About (3-bromophenyl)-(2-methylthiophen-3-yl)methanone

(3-bromophenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102830603) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is (3-bromophenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102830603
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrOS/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyUFQMSLSCRXTDKU-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2-methylthiophen-3-yl)methanone (CID 102830603) is (3-bromophenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is UFQMSLSCRXTDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of (3-bromophenyl)-(2-methylthiophen-3-yl)methanone?
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 281.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102830603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).