1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone

C14H13BrO2S — CID 43411918

IUPAC1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H13BrO2S/c1-9-3-4-12(10(2)7-9)17-8-11(16)13-5-6-14(15)18-13/h3-7H,8H2,1-2H3
InChIKeyGLGQBUUZMHMTOF-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone

1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone (PubChem CID 43411918) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
PubChem CID43411918
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C14H13BrO2S/c1-9-3-4-12(10(2)7-9)17-8-11(16)13-5-6-14(15)18-13/h3-7H,8H2,1-2H3
InChIKeyGLGQBUUZMHMTOF-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496583
2-(2-tert-butyl-4-methylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 43425728
2-[4-[3,3-bis(5-bromothiophen-2-yl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid
CID 68559482
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone (CID 43411918) is 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone is Cc1ccc(OCC(=O)c2ccc(Br)s2)c(C)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone?
The InChIKey is GLGQBUUZMHMTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-9-3-4-12(10(2)7-9)17-8-11(16)13-5-6-14(15)18-13/h3-7H,8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone?
1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone has a molecular weight of 325.23 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(2,4-dimethylphenoxy)ethanone is sourced from PubChem (CID 43411918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).