2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene

C20H26OS — CID 23432248

IUPAC2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
SMILESCC/C=C/COc1ccc(-c2ccc(CCCCC)s2)cc1
InChIInChI=1S/C20H26OS/c1-3-5-7-9-19-14-15-20(22-19)17-10-12-18(13-11-17)21-16-8-6-4-2/h6,8,10-15H,3-5,7,9,16H2,1-2H3/b8-6+
InChIKeyMEPSZZQWYJPSTO-SOFGYWHQSA-N
MW314.49 g/mol
LogP6.49
Rot. Bonds9

About 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene

2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene (PubChem CID 23432248) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene.

Molecular Properties

Compound Name2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
PubChem CID23432248
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
SMILESCC/C=C/COc1ccc(-c2ccc(CCCCC)s2)cc1
InChIInChI=1S/C20H26OS/c1-3-5-7-9-19-14-15-20(22-19)17-10-12-18(13-11-17)21-16-8-6-4-2/h6,8,10-15H,3-5,7,9,16H2,1-2H3/b8-6+
InChIKeyMEPSZZQWYJPSTO-SOFGYWHQSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
CID 54517967
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432042
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
[4-(5-octylthiophen-2-yl)phenyl] (2E,4E)-hexa-2,4-dienoate
CID 101164553
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene?
The IUPAC name of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene (CID 23432248) is 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene.
What is the SMILES notation for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene?
The canonical SMILES for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene is CC/C=C/COc1ccc(-c2ccc(CCCCC)s2)cc1.
What is the InChIKey of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene?
The InChIKey is MEPSZZQWYJPSTO-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H26OS/c1-3-5-7-9-19-14-15-20(22-19)17-10-12-18(13-11-17)21-16-8-6-4-2/h6,8,10-15H,3-5,7,9,16H2,1-2H3/b8-6+.
What are the key properties of 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene?
2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene has a molecular weight of 314.49 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene is sourced from PubChem (CID 23432248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).