(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone

C14H13BrOS — CID 105105721

IUPAC(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csc(Br)c2)cc1C
InChIInChI=1S/C14H13BrOS/c1-8-4-10(3)12(5-9(8)2)14(16)11-6-13(15)17-7-11/h4-7H,1-3H3
InChIKeyPDOPVIQFWWPEAG-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.67
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone

(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 105105721) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID105105721
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csc(Br)c2)cc1C
InChIInChI=1S/C14H13BrOS/c1-8-4-10(3)12(5-9(8)2)14(16)11-6-13(15)17-7-11/h4-7H,1-3H3
InChIKeyPDOPVIQFWWPEAG-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
CID 107959962
(5-bromothiophen-3-yl)-(3-fluoro-5-methylphenyl)methanone
CID 105118815
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
(5-bromothiophen-3-yl)-(4,5-dimethyl-1,2,4-triazol-3-yl)methanone
CID 130943547
5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 39134325
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone (CID 105105721) is (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2csc(Br)c2)cc1C.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is PDOPVIQFWWPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-8-4-10(3)12(5-9(8)2)14(16)11-6-13(15)17-7-11/h4-7H,1-3H3.
What are the key properties of (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone?
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 309.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 105105721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).