2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone

C12H15BrO2S — CID 103449535

IUPAC2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone
SMILESO=C(Cc1sccc1Br)C1(O)CCCCC1
InChIInChI=1S/C12H15BrO2S/c13-9-4-7-16-10(9)8-11(14)12(15)5-2-1-3-6-12/h4,7,15H,1-3,5-6,8H2
InChIKeyRZRJKZGFPWJTIP-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone

2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone (PubChem CID 103449535) has the molecular formula C12H15BrO2S and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone
PubChem CID103449535
Molecular FormulaC12H15BrO2S
Molecular Weight303.22 g/mol
Exact Mass302.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone
SMILESO=C(Cc1sccc1Br)C1(O)CCCCC1
InChIInChI=1S/C12H15BrO2S/c13-9-4-7-16-10(9)8-11(14)12(15)5-2-1-3-6-12/h4,7,15H,1-3,5-6,8H2
InChIKeyRZRJKZGFPWJTIP-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750399
2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070320
(3-bromothiophen-2-yl)-(1-hydroxycyclohexyl)methanone
CID 103449752
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580567
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
2-(3-bromo-2,6-difluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106266312
2-(2-bromo-5-methoxyphenyl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449739
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
2-bromo-1-(1-hydroxycyclohexyl)ethanone
CID 71436239
2-(3-bromothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)ethanone
CID 79995869
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone (CID 103449535) is 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone is O=C(Cc1sccc1Br)C1(O)CCCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
The InChIKey is RZRJKZGFPWJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2S/c13-9-4-7-16-10(9)8-11(14)12(15)5-2-1-3-6-12/h4,7,15H,1-3,5-6,8H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone?
2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone has a molecular weight of 303.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 103449535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).