2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone

C15H21BrO2S — CID 116749384

IUPAC2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(Br)s2)CCC(C)CC1
InChIInChI=1S/C15H21BrO2S/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyRIHVUUSCYPFTHK-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.61
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone

2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone (PubChem CID 116749384) has the molecular formula C15H21BrO2S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
PubChem CID116749384
Molecular FormulaC15H21BrO2S
Molecular Weight345.30 g/mol
Exact Mass344.04
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(Br)s2)CCC(C)CC1
InChIInChI=1S/C15H21BrO2S/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11H,3,6-10H2,1-2H3
InChIKeyRIHVUUSCYPFTHK-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116749303
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116750094
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 116766889
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethanone
CID 116748987
1-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393457
2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749468
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749362
1-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441792
3-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)propan-1-one
CID 116749443
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone (CID 116749384) is 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone is CCOC1(C(=O)Cc2ccc(Br)s2)CCC(C)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
The InChIKey is RIHVUUSCYPFTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2S/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone has a molecular weight of 345.30 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 116749384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).