1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol

C11H15BrOS — CID 641983

IUPAC1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol
SMILESCc1cc(Br)c(C2(O)CCCCC2)s1
InChIInChI=1S/C11H15BrOS/c1-8-7-9(12)10(14-8)11(13)5-3-2-4-6-11/h7,13H,2-6H2,1H3
InChIKeyLMOHWSFQGSDSLC-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.97
Rot. Bonds1

About 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol

1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol (PubChem CID 641983) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol
PubChem CID641983
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol
SMILESCc1cc(Br)c(C2(O)CCCCC2)s1
InChIInChI=1S/C11H15BrOS/c1-8-7-9(12)10(14-8)11(13)5-3-2-4-6-11/h7,13H,2-6H2,1H3
InChIKeyLMOHWSFQGSDSLC-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol (CID 641983) is 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol is Cc1cc(Br)c(C2(O)CCCCC2)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol?
The InChIKey is LMOHWSFQGSDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c1-8-7-9(12)10(14-8)11(13)5-3-2-4-6-11/h7,13H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol?
1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol has a molecular weight of 275.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 641983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).