1-(5-bromothiophen-3-yl)hex-4-yn-1-ol

C10H11BrOS — CID 105126513

IUPAC1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1csc(Br)c1
InChIInChI=1S/C10H11BrOS/c1-2-3-4-5-9(12)8-6-10(11)13-7-8/h6-7,9,12H,4-5H2,1H3
InChIKeyGEDBNMPXYJFSMG-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.35
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol

1-(5-bromothiophen-3-yl)hex-4-yn-1-ol (PubChem CID 105126513) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
PubChem CID105126513
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1csc(Br)c1
InChIInChI=1S/C10H11BrOS/c1-2-3-4-5-9(12)8-6-10(11)13-7-8/h6-7,9,12H,4-5H2,1H3
InChIKeyGEDBNMPXYJFSMG-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
1-(5-bromothiophen-3-yl)hex-5-yn-1-ol
CID 105124621
1-(4-bromo-3,5-dimethylphenyl)hex-4-yn-1-ol
CID 114329886
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
1-(5-bromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 105104586
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
CID 105290740
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
CID 115833633
1-(4-bromo-2,6-difluorophenyl)hex-4-yn-1-ol
CID 115833622
1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
CID 104804116
1-(2,4-dibromophenyl)hex-4-yn-1-ol
CID 107947793
1-(7-bromo-1,3-benzodioxol-5-yl)hex-4-yn-1-ol
CID 104809376

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol?
The IUPAC name of 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol (CID 105126513) is 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol is CC#CCCC(O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol?
The InChIKey is GEDBNMPXYJFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c1-2-3-4-5-9(12)8-6-10(11)13-7-8/h6-7,9,12H,4-5H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol?
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol has a molecular weight of 259.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)hex-4-yn-1-ol is sourced from PubChem (CID 105126513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).