2-(4-methoxyphenyl)-5-nitrothiophene

C11H9NO3S — CID 10998963

IUPAC2-(4-methoxyphenyl)-5-nitrothiophene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3
InChIKeyYHSZDFFJFQKQRZ-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-nitrothiophene

2-(4-methoxyphenyl)-5-nitrothiophene (PubChem CID 10998963) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-nitrothiophene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-nitrothiophene
PubChem CID10998963
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(4-methoxyphenyl)-5-nitrothiophene
SMILESCOc1ccc(-c2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3
InChIKeyYHSZDFFJFQKQRZ-UHFFFAOYSA-N
XLogP3.33
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-nitrothiophene?
The IUPAC name of 2-(4-methoxyphenyl)-5-nitrothiophene (CID 10998963) is 2-(4-methoxyphenyl)-5-nitrothiophene.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-nitrothiophene?
The canonical SMILES for 2-(4-methoxyphenyl)-5-nitrothiophene is COc1ccc(-c2ccc([N+](=O)[O-])s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-nitrothiophene?
The InChIKey is YHSZDFFJFQKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-nitrothiophene?
2-(4-methoxyphenyl)-5-nitrothiophene has a molecular weight of 235.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-nitrothiophene is sourced from PubChem (CID 10998963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).