1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol

C10H15BrOS — CID 102829531

IUPAC1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C10H15BrOS/c1-3-4-5-9(12)10-6-8(11)7(2)13-10/h6,9,12H,3-5H2,1-2H3
InChIKeyXXRCUOYURFFGOG-UHFFFAOYSA-N
MW263.20 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol

1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol (PubChem CID 102829531) has the molecular formula C10H15BrOS and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
PubChem CID102829531
Molecular FormulaC10H15BrOS
Molecular Weight263.20 g/mol
Exact Mass262.00
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
SMILESCCCCC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C10H15BrOS/c1-3-4-5-9(12)10-6-8(11)7(2)13-10/h6,9,12H,3-5H2,1-2H3
InChIKeyXXRCUOYURFFGOG-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
1-(5-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 102764394
1-(4-bromo-5-methylthiophen-2-yl)-N-propylheptan-1-amine
CID 102827771
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(4-bromo-5-methylthiophen-2-yl)-N-propyldecan-1-amine
CID 102827908
(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
CID 102829789
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol (CID 102829531) is 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol is CCCCC(O)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol?
The InChIKey is XXRCUOYURFFGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrOS/c1-3-4-5-9(12)10-6-8(11)7(2)13-10/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol?
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol has a molecular weight of 263.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 102829531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).