(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone

C12H9BrO2S — CID 114975240

IUPAC(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccsc1
InChIInChI=1S/C12H9BrO2S/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7H,1H3
InChIKeyQBRFSZREVMHMDV-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.75
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone

(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone (PubChem CID 114975240) has the molecular formula C12H9BrO2S and a molecular weight of 297.17 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
PubChem CID114975240
Molecular FormulaC12H9BrO2S
Molecular Weight297.17 g/mol
Exact Mass295.95
IUPAC Name(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1cc(Br)ccc1C(=O)c1ccsc1
InChIInChI=1S/C12H9BrO2S/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7H,1H3
InChIKeyQBRFSZREVMHMDV-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanone
CID 79742362
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methanone
CID 113295986

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone (CID 114975240) is (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone is COc1cc(Br)ccc1C(=O)c1ccsc1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone?
The InChIKey is QBRFSZREVMHMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2S/c1-15-11-6-9(13)2-3-10(11)12(14)8-4-5-16-7-8/h2-7H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone?
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone has a molecular weight of 297.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 114975240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).