(4-bromothiophen-3-yl)-cyclohexylmethanol

C11H15BrOS — CID 79596363

IUPAC(4-bromothiophen-3-yl)-cyclohexylmethanol
SMILESOC(c1cscc1Br)C1CCCCC1
InChIInChI=1S/C11H15BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h6-8,11,13H,1-5H2
InChIKeyVWJYOTBJBJWQFD-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.12
Rot. Bonds2

About (4-bromothiophen-3-yl)-cyclohexylmethanol

(4-bromothiophen-3-yl)-cyclohexylmethanol (PubChem CID 79596363) has the molecular formula C11H15BrOS and a molecular weight of 275.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-cyclohexylmethanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-cyclohexylmethanol
PubChem CID79596363
Molecular FormulaC11H15BrOS
Molecular Weight275.21 g/mol
Exact Mass274.00
IUPAC Name(4-bromothiophen-3-yl)-cyclohexylmethanol
SMILESOC(c1cscc1Br)C1CCCCC1
InChIInChI=1S/C11H15BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h6-8,11,13H,1-5H2
InChIKeyVWJYOTBJBJWQFD-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364
1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
CID 103459201
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
CID 115820008
7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
CID 115820159
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
(4-bromothiophen-3-yl)-(1,4-dioxan-2-yl)methanol
CID 115278605
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-cyclohexylmethanol?
The IUPAC name of (4-bromothiophen-3-yl)-cyclohexylmethanol (CID 79596363) is (4-bromothiophen-3-yl)-cyclohexylmethanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-cyclohexylmethanol?
The canonical SMILES for (4-bromothiophen-3-yl)-cyclohexylmethanol is OC(c1cscc1Br)C1CCCCC1.
What is the InChIKey of (4-bromothiophen-3-yl)-cyclohexylmethanol?
The InChIKey is VWJYOTBJBJWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrOS/c12-10-7-14-6-9(10)11(13)8-4-2-1-3-5-8/h6-8,11,13H,1-5H2.
What are the key properties of (4-bromothiophen-3-yl)-cyclohexylmethanol?
(4-bromothiophen-3-yl)-cyclohexylmethanol has a molecular weight of 275.21 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-cyclohexylmethanol is sourced from PubChem (CID 79596363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).