(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol

C12H17BrOS — CID 65278640

IUPAC(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol
SMILESCc1cc(Br)c(C(O)C2CCCCC2)s1
InChIInChI=1S/C12H17BrOS/c1-8-7-10(13)12(15-8)11(14)9-5-3-2-4-6-9/h7,9,11,14H,2-6H2,1H3
InChIKeyIOXJJJLGMFHFOF-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.43
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol

(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol (PubChem CID 65278640) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol
PubChem CID65278640
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol
SMILESCc1cc(Br)c(C(O)C2CCCCC2)s1
InChIInChI=1S/C12H17BrOS/c1-8-7-10(13)12(15-8)11(14)9-5-3-2-4-6-9/h7,9,11,14H,2-6H2,1H3
InChIKeyIOXJJJLGMFHFOF-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol (CID 65278640) is (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol is Cc1cc(Br)c(C(O)C2CCCCC2)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol?
The InChIKey is IOXJJJLGMFHFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-8-7-10(13)12(15-8)11(14)9-5-3-2-4-6-9/h7,9,11,14H,2-6H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol?
(3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol has a molecular weight of 289.24 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-cyclohexylmethanol is sourced from PubChem (CID 65278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).