(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol

C13H19BrOS — CID 79991365

IUPAC(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
SMILESCc1cc(C(O)C2CCCCCC2)sc1Br
InChIInChI=1S/C13H19BrOS/c1-9-8-11(16-13(9)14)12(15)10-6-4-2-3-5-7-10/h8,10,12,15H,2-7H2,1H3
InChIKeyZXEZTQLOLQIPEA-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.82
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol

(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol (PubChem CID 79991365) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
PubChem CID79991365
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol
SMILESCc1cc(C(O)C2CCCCCC2)sc1Br
InChIInChI=1S/C13H19BrOS/c1-9-8-11(16-13(9)14)12(15)10-6-4-2-3-5-7-10/h8,10,12,15H,2-7H2,1H3
InChIKeyZXEZTQLOLQIPEA-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
1-(5-bromo-4-methylthiophen-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 79991112
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-bromo-4-methylthiophen-2-yl)methanol
CID 79991787
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(4,5-dibromothiophen-2-yl)-(oxan-3-yl)methanol
CID 80535369

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol (CID 79991365) is (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol is Cc1cc(C(O)C2CCCCCC2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol?
The InChIKey is ZXEZTQLOLQIPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-9-8-11(16-13(9)14)12(15)10-6-4-2-3-5-7-10/h8,10,12,15H,2-7H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol?
(5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol has a molecular weight of 303.26 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-cycloheptylmethanol is sourced from PubChem (CID 79991365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).