1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol

C9H12Br2O2S — CID 115839601

IUPAC1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2O2S/c1-13-4-2-3-7(12)8-5-6(10)9(11)14-8/h5,7,12H,2-4H2,1H3
InChIKeyLDBOOFQVZZCLQH-UHFFFAOYSA-N
MW344.07 g/mol
LogP3.73
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol

1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol (PubChem CID 115839601) has the molecular formula C9H12Br2O2S and a molecular weight of 344.07 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
PubChem CID115839601
Molecular FormulaC9H12Br2O2S
Molecular Weight344.07 g/mol
Exact Mass341.89
IUPAC Name1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2O2S/c1-13-4-2-3-7(12)8-5-6(10)9(11)14-8/h5,7,12H,2-4H2,1H3
InChIKeyLDBOOFQVZZCLQH-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
CID 115839544
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442
1-(4,5-dibromothiophen-2-yl)octan-1-ol
CID 80535373
3-amino-1-(4,5-dibromothiophen-2-yl)propan-1-ol
CID 80538163
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methanol
CID 115835804
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
2-[2-(4,5-dibromothiophen-2-yl)-2-hydroxyethoxy]acetic acid
CID 80535278
1-(4-bromo-5-methylthiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 102829631
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol (CID 115839601) is 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol is COCCCC(O)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol?
The InChIKey is LDBOOFQVZZCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2O2S/c1-13-4-2-3-7(12)8-5-6(10)9(11)14-8/h5,7,12H,2-4H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol?
1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol has a molecular weight of 344.07 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol is sourced from PubChem (CID 115839601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).