2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene

C23H25FOS — CID 19757570

IUPAC2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)s2)cc1
InChIInChI=1S/C23H25FOS/c1-3-4-5-6-7-17-8-10-18(11-9-17)22-14-15-23(26-22)19-12-13-21(25-2)20(24)16-19/h8-16H,3-7H2,1-2H3
InChIKeyZDUBEBBWFBEMSW-UHFFFAOYSA-N
MW368.52 g/mol
LogP7.35
Rot. Bonds8

About 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene

2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene (PubChem CID 19757570) has the molecular formula C23H25FOS and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene
PubChem CID19757570
Molecular FormulaC23H25FOS
Molecular Weight368.52 g/mol
Exact Mass368.16
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)s2)cc1
InChIInChI=1S/C23H25FOS/c1-3-4-5-6-7-17-8-10-18(11-9-17)22-14-15-23(26-22)19-12-13-21(25-2)20(24)16-19/h8-16H,3-7H2,1-2H3
InChIKeyZDUBEBBWFBEMSW-UHFFFAOYSA-N
XLogP7.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 57.35
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-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene (CID 19757570) is 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene is CCCCCCc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)s2)cc1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene?
The InChIKey is ZDUBEBBWFBEMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FOS/c1-3-4-5-6-7-17-8-10-18(11-9-17)22-14-15-23(26-22)19-12-13-21(25-2)20(24)16-19/h8-16H,3-7H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene?
2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene has a molecular weight of 368.52 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5-(4-hexylphenyl)thiophene is sourced from PubChem (CID 19757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).