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

C10H15BrO2S — CID 115839544

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrO2S/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8,12H,3-5H2,1-2H3
InChIKeyDDDKWKNUTSLYGX-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.28
Rot. Bonds5

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

1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol (PubChem CID 115839544) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
PubChem CID115839544
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol
SMILESCOCCCC(O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrO2S/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8,12H,3-5H2,1-2H3
InChIKeyDDDKWKNUTSLYGX-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.28
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-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
CID 115839601
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
1-(5-bromo-4-methylthiophen-2-yl)pent-4-yn-1-ol
CID 115799398
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 115798352
1-(4-bromo-2-methylphenyl)-4-methoxybutan-1-ol
CID 115839496
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-ol
CID 115814756
1-(4,5-dibromothiophen-2-yl)heptan-1-ol
CID 114753442

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol (CID 115839544) is 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol is COCCCC(O)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol?
The InChIKey is DDDKWKNUTSLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-7-6-9(14-10(7)11)8(12)4-3-5-13-2/h6,8,12H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol?
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol has a molecular weight of 279.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-ol is sourced from PubChem (CID 115839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).