(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol

C11H13BrOS — CID 63796459

IUPAC(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1sccc1Br
InChIInChI=1S/C11H13BrOS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2
InChIKeyVTKHARNUUQUGSZ-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.04
Rot. Bonds2

About (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol

(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol (PubChem CID 63796459) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
PubChem CID63796459
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1sccc1Br
InChIInChI=1S/C11H13BrOS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2
InChIKeyVTKHARNUUQUGSZ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
[(1E)-cycloocten-1-yl]-(2,4-dibromophenyl)methanol
CID 107947929
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
(3-bromo-4-chlorophenyl)-(cyclohexen-1-yl)methanol
CID 106651534
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657617
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
cyclohexen-1-ylmethanediol
CID 21392290
cyclohexen-1-yl(1,3-thiazol-5-yl)methanol
CID 106651555

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol (CID 63796459) is (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol?
The InChIKey is VTKHARNUUQUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c12-9-6-7-14-11(9)10(13)8-4-2-1-3-5-8/h4,6-7,10,13H,1-3,5H2.
What are the key properties of (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol?
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol has a molecular weight of 273.19 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 63796459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).