(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone

C13H11BrO2S — CID 107959962

IUPAC(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(Br)c2)cc1C
InChIInChI=1S/C13H11BrO2S/c1-8-5-9(3-4-11(8)16-2)13(15)10-6-12(14)17-7-10/h3-7H,1-2H3
InChIKeyGLAIRPNHIDMKOQ-UHFFFAOYSA-N
MW311.20 g/mol
LogP4.06
Rot. Bonds3

About (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone

(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 107959962) has the molecular formula C13H11BrO2S and a molecular weight of 311.20 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID107959962
Molecular FormulaC13H11BrO2S
Molecular Weight311.20 g/mol
Exact Mass309.97
IUPAC Name(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2csc(Br)c2)cc1C
InChIInChI=1S/C13H11BrO2S/c1-8-5-9(3-4-11(8)16-2)13(15)10-6-12(14)17-7-10/h3-7H,1-2H3
InChIKeyGLAIRPNHIDMKOQ-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(4-hydroxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 70142361
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(3-bromo-5-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107949805
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
(3,4-dimethylphenyl)-[4-(4-methoxyphenoxy)-3-methylphenyl]methanone
CID 59022177
[2-(dimethylamino)-1,3-thiazol-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 94699536
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone (CID 107959962) is (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2csc(Br)c2)cc1C.
What is the InChIKey of (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is GLAIRPNHIDMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2S/c1-8-5-9(3-4-11(8)16-2)13(15)10-6-12(14)17-7-10/h3-7H,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone?
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 311.20 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 107959962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).