(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone

C15H15BrO2S — CID 104656774

IUPAC(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2sccc2CC)cc1Br
InChIInChI=1S/C15H15BrO2S/c1-3-10-7-8-19-15(10)14(17)11-5-6-13(18-4-2)12(16)9-11/h5-9H,3-4H2,1-2H3
InChIKeyQJGCHHCFPUKTES-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.70
Rot. Bonds5

About (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone

(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 104656774) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
PubChem CID104656774
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2sccc2CC)cc1Br
InChIInChI=1S/C15H15BrO2S/c1-3-10-7-8-19-15(10)14(17)11-5-6-13(18-4-2)12(16)9-11/h5-9H,3-4H2,1-2H3
InChIKeyQJGCHHCFPUKTES-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
1-(3-bromo-4-ethoxyphenyl)-2-methylpropan-1-one
CID 104656822
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
CID 114962447
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone (CID 104656774) is (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone is CCOc1ccc(C(=O)c2sccc2CC)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is QJGCHHCFPUKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-3-10-7-8-19-15(10)14(17)11-5-6-13(18-4-2)12(16)9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone?
(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone has a molecular weight of 339.25 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 104656774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).