1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol

C11H17BrO3S — CID 102927721

IUPAC1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrO3S/c1-14-6-7-15-5-4-9(13)8-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3
InChIKeyILTUOFWNBPZFGW-UHFFFAOYSA-N
MW309.23 g/mol
LogP2.47
Rot. Bonds8

About 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol

1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol (PubChem CID 102927721) has the molecular formula C11H17BrO3S and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
PubChem CID102927721
Molecular FormulaC11H17BrO3S
Molecular Weight309.23 g/mol
Exact Mass308.01
IUPAC Name1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
SMILESCOCCOCCC(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrO3S/c1-14-6-7-15-5-4-9(13)8-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3
InChIKeyILTUOFWNBPZFGW-UHFFFAOYSA-N
XLogP2.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-ol
CID 65149397
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
CID 105087659
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
1-(5-bromothiophen-2-yl)-4,4-dimethylpentan-2-ol
CID 63890851
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(5-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-ol
CID 65132423

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol (CID 102927721) is 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol is COCCOCCC(O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol?
The InChIKey is ILTUOFWNBPZFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO3S/c1-14-6-7-15-5-4-9(13)8-10-2-3-11(12)16-10/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol?
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol has a molecular weight of 309.23 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol is sourced from PubChem (CID 102927721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).