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

C13H19BrOS — CID 68509731

IUPAC(5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol
SMILESCCc1sc(Br)cc1C(O)C1CCCCC1
InChIInChI=1S/C13H19BrOS/c1-2-11-10(8-12(14)16-11)13(15)9-6-4-3-5-7-9/h8-9,13,15H,2-7H2,1H3
InChIKeyXGNHDGVAEJUDFQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.69
Rot. Bonds3

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

(5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol (PubChem CID 68509731) has the molecular formula C13H19BrOS and a molecular weight of 303.27 g/mol. Its IUPAC name is (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol
PubChem CID68509731
Molecular FormulaC13H19BrOS
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name(5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol
SMILESCCc1sc(Br)cc1C(O)C1CCCCC1
InChIInChI=1S/C13H19BrOS/c1-2-11-10(8-12(14)16-11)13(15)9-6-4-3-5-7-9/h8-9,13,15H,2-7H2,1H3
InChIKeyXGNHDGVAEJUDFQ-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol?
The IUPAC name of (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol (CID 68509731) is (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol.
What is the SMILES notation for (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol?
The canonical SMILES for (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol is CCc1sc(Br)cc1C(O)C1CCCCC1.
What is the InChIKey of (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol?
The InChIKey is XGNHDGVAEJUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-2-11-10(8-12(14)16-11)13(15)9-6-4-3-5-7-9/h8-9,13,15H,2-7H2,1H3.
What are the key properties of (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol?
(5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol has a molecular weight of 303.27 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethylthiophen-3-yl)-cyclohexylmethanol is sourced from PubChem (CID 68509731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).