(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone

C12H9BrOS — CID 54181857

IUPAC(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(C(=O)c2ccsc2)ccc1Br
InChIInChI=1S/C12H9BrOS/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-7H,1H3
InChIKeyPCJHBVVZJJZGFO-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.05
Rot. Bonds2

About (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone

(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 54181857) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
PubChem CID54181857
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(C(=O)c2ccsc2)ccc1Br
InChIInChI=1S/C12H9BrOS/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-7H,1H3
InChIKeyPCJHBVVZJJZGFO-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-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
2-bromo-1-(4-bromo-3-methylphenyl)propan-1-one
CID 44542806
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone (CID 54181857) is (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone is Cc1cc(C(=O)c2ccsc2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is PCJHBVVZJJZGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c1-8-6-9(2-3-11(8)13)12(14)10-4-5-15-7-10/h2-7H,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone?
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone 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 (4-bromo-3-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 54181857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).