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

3-(3-Bromothiophen-2-yl)-2-oxopropanoic acid
CID 53983370
2-[1-[2-(3-Bromothiophen-2-yl)-2,2-difluoroethyl]cyclohexyl]acetic acid
CID 80535840
2-[2-(5-Bromothiophen-2-yl)thian-2-yl]acetic acid
CID 17925337
2-[(2S)-2-(5-bromothiophen-2-yl)thian-2-yl]acetic acid
CID 57159529
4-(4-Bromo-thiophen-2-yl)-4-hydroxy-cyclohexanone
CID 59361609
2-[(3-Bromothiophen-2-yl)methyl]cyclohexan-1-one
CID 10084663
3-(4-Bromo-5-methylthiophen-2-yl)-3-hydroxybutan-2-one
CID 16125284
2-[(3-Bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-one
CID 61726334
3-(3-Bromothiophen-2-yl)-2-methylpropanoic acid
CID 61726536
2-[(3-Bromothiophen-2-yl)methyl]-4-methylpentanoic acid
CID 61726538
2-[(3-Bromothiophen-2-yl)methyl]butanoic acid
CID 61726539
2-[(3-Bromothiophen-2-yl)methyl]pentanoic acid
CID 61726737

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).