(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone

C14H13BrOS — CID 43462600

IUPAC(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H13BrOS/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7H,1-3H3
InChIKeyIQXNCCLKIPXUPV-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.67
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone

(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43462600) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43462600
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H13BrOS/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7H,1-3H3
InChIKeyIQXNCCLKIPXUPV-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

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Related Compounds

(5-ethylthiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43338856
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
CID 43411918
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
CID 61102051
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
[4-[5-(5-bromothiophen-2-yl)thiophene-2-carbonyl]-2,3,5,6-tetrafluorophenyl]-[5-(5-bromothiophen-2-yl)thiophen-2-yl]methanone
CID 101372333
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496583
1-(5-bromothiophen-2-yl)-2-(N,3,5-trimethylanilino)ethanone
CID 63567722

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone (CID 43462600) is (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(Br)s2)c(C)c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is IQXNCCLKIPXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7H,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone?
(5-bromothiophen-2-yl)-(2,4,6-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-2-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).