3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene

C15H15BrO2S — CID 146174493

IUPAC3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene
SMILESCOCOc1ccc(C)cc1/C(=C/Br)c1ccsc1
InChIInChI=1S/C15H15BrO2S/c1-11-3-4-15(18-10-17-2)13(7-11)14(8-16)12-5-6-19-9-12/h3-9H,10H2,1-2H3/b14-8+
InChIKeyUZLTWJJDEWUONV-RIYZIHGNSA-N
MW339.25 g/mol
LogP4.82
Rot. Bonds5

About 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene

3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene (PubChem CID 146174493) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene.

Molecular Properties

Compound Name3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene
PubChem CID146174493
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene
SMILESCOCOc1ccc(C)cc1/C(=C/Br)c1ccsc1
InChIInChI=1S/C15H15BrO2S/c1-11-3-4-15(18-10-17-2)13(7-11)14(8-16)12-5-6-19-9-12/h3-9H,10H2,1-2H3/b14-8+
InChIKeyUZLTWJJDEWUONV-RIYZIHGNSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene?
The IUPAC name of 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene (CID 146174493) is 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene.
What is the SMILES notation for 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene?
The canonical SMILES for 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene is COCOc1ccc(C)cc1/C(=C/Br)c1ccsc1.
What is the InChIKey of 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene?
The InChIKey is UZLTWJJDEWUONV-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-11-3-4-15(18-10-17-2)13(7-11)14(8-16)12-5-6-19-9-12/h3-9H,10H2,1-2H3/b14-8+.
What are the key properties of 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene?
3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene has a molecular weight of 339.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-bromo-1-[2-(methoxymethoxy)-5-methylphenyl]ethenyl]thiophene is sourced from PubChem (CID 146174493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).