2-(4-octoxyphenyl)thiophene

C18H24OS — CID 18448197

IUPAC2-(4-octoxyphenyl)thiophene
SMILESCCCCCCCCOc1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H24OS/c1-2-3-4-5-6-7-14-19-17-12-10-16(11-13-17)18-9-8-15-20-18/h8-13,15H,2-7,14H2,1H3
InChIKeyUUJRFPDHHPDLKI-UHFFFAOYSA-N
MW288.46 g/mol
LogP6.15
Rot. Bonds9

About 2-(4-octoxyphenyl)thiophene

2-(4-octoxyphenyl)thiophene (PubChem CID 18448197) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(4-octoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(4-octoxyphenyl)thiophene
PubChem CID18448197
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2-(4-octoxyphenyl)thiophene
SMILESCCCCCCCCOc1ccc(-c2cccs2)cc1
InChIInChI=1S/C18H24OS/c1-2-3-4-5-6-7-14-19-17-12-10-16(11-13-17)18-9-8-15-20-18/h8-13,15H,2-7,14H2,1H3
InChIKeyUUJRFPDHHPDLKI-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 56.15
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-octoxyphenyl)thiophene?
The IUPAC name of 2-(4-octoxyphenyl)thiophene (CID 18448197) is 2-(4-octoxyphenyl)thiophene.
What is the SMILES notation for 2-(4-octoxyphenyl)thiophene?
The canonical SMILES for 2-(4-octoxyphenyl)thiophene is CCCCCCCCOc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-octoxyphenyl)thiophene?
The InChIKey is UUJRFPDHHPDLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-2-3-4-5-6-7-14-19-17-12-10-16(11-13-17)18-9-8-15-20-18/h8-13,15H,2-7,14H2,1H3.
What are the key properties of 2-(4-octoxyphenyl)thiophene?
2-(4-octoxyphenyl)thiophene has a molecular weight of 288.46 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octoxyphenyl)thiophene is sourced from PubChem (CID 18448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).