4-bromo-2-(propoxymethyl)thiophene

C8H11BrOS — CID 59332771

IUPAC4-bromo-2-(propoxymethyl)thiophene
SMILESCCCOCc1cc(Br)cs1
InChIInChI=1S/C8H11BrOS/c1-2-3-10-5-8-4-7(9)6-11-8/h4,6H,2-3,5H2,1H3
InChIKeyLOBYZPFKBPPWAO-UHFFFAOYSA-N
MW235.15 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-2-(propoxymethyl)thiophene

4-bromo-2-(propoxymethyl)thiophene (PubChem CID 59332771) has the molecular formula C8H11BrOS and a molecular weight of 235.15 g/mol. Its IUPAC name is 4-bromo-2-(propoxymethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(propoxymethyl)thiophene
PubChem CID59332771
Molecular FormulaC8H11BrOS
Molecular Weight235.15 g/mol
Exact Mass233.97
IUPAC Name4-bromo-2-(propoxymethyl)thiophene
SMILESCCCOCc1cc(Br)cs1
InChIInChI=1S/C8H11BrOS/c1-2-3-10-5-8-4-7(9)6-11-8/h4,6H,2-3,5H2,1H3
InChIKeyLOBYZPFKBPPWAO-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromothiophen-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62343396
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
1-(4-bromothiophen-2-yl)-4-propoxybutan-2-one
CID 105092454
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(4-bromothiophen-2-yl)-2-propoxyethanamine
CID 79575561
4-bromo-2-(cyclohexylmethoxymethyl)thiophene
CID 55219959
1-[(4-bromothiophen-2-yl)methyl-methylamino]-3-butoxypropan-2-ol
CID 107263807
1-[(4-bromothiophen-2-yl)methoxymethyl]cyclopentan-1-amine
CID 64572030
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
CID 107723788
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
(4-bromothiophen-2-yl)methanol;ethane
CID 163225247

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(propoxymethyl)thiophene?
The IUPAC name of 4-bromo-2-(propoxymethyl)thiophene (CID 59332771) is 4-bromo-2-(propoxymethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(propoxymethyl)thiophene?
The canonical SMILES for 4-bromo-2-(propoxymethyl)thiophene is CCCOCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(propoxymethyl)thiophene?
The InChIKey is LOBYZPFKBPPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrOS/c1-2-3-10-5-8-4-7(9)6-11-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-bromo-2-(propoxymethyl)thiophene?
4-bromo-2-(propoxymethyl)thiophene has a molecular weight of 235.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(propoxymethyl)thiophene is sourced from PubChem (CID 59332771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).