2,5-bis(4-but-2-enoxyphenyl)thiophene

C24H24O2S — CID 54197936

IUPAC2,5-bis(4-but-2-enoxyphenyl)thiophene
SMILESCC=CCOc1ccc(-c2ccc(-c3ccc(OCC=CC)cc3)s2)cc1
InChIInChI=1S/C24H24O2S/c1-3-5-17-25-21-11-7-19(8-12-21)23-15-16-24(27-23)20-9-13-22(14-10-20)26-18-6-4-2/h3-16H,17-18H2,1-2H3
InChIKeyPNEOQKBMRJKMNY-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.99
Rot. Bonds8

About 2,5-bis(4-but-2-enoxyphenyl)thiophene

2,5-bis(4-but-2-enoxyphenyl)thiophene (PubChem CID 54197936) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2,5-bis(4-but-2-enoxyphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-but-2-enoxyphenyl)thiophene
PubChem CID54197936
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name2,5-bis(4-but-2-enoxyphenyl)thiophene
SMILESCC=CCOc1ccc(-c2ccc(-c3ccc(OCC=CC)cc3)s2)cc1
InChIInChI=1S/C24H24O2S/c1-3-5-17-25-21-11-7-19(8-12-21)23-15-16-24(27-23)20-9-13-22(14-10-20)26-18-6-4-2/h3-16H,17-18H2,1-2H3
InChIKeyPNEOQKBMRJKMNY-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-bis(4-but-2-enoxyphenyl)thiophene 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

2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
1-[(E)-but-2-enoxy]-4-iodobenzene
CID 87803030
but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745
2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
CID 23432248
2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
CID 54517967
[4-[(Z)-but-2-enoxy]phenyl]boronic acid
CID 99880540
2-[(E)-but-2-enoxy]-5-[4-(4-pentylphenyl)phenyl]thiophene
CID 23432036
5-[4-[(E)-but-2-enoxy]phenyl]pyridine-2-carbonitrile
CID 70153443

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-but-2-enoxyphenyl)thiophene?
The IUPAC name of 2,5-bis(4-but-2-enoxyphenyl)thiophene (CID 54197936) is 2,5-bis(4-but-2-enoxyphenyl)thiophene.
What is the SMILES notation for 2,5-bis(4-but-2-enoxyphenyl)thiophene?
The canonical SMILES for 2,5-bis(4-but-2-enoxyphenyl)thiophene is CC=CCOc1ccc(-c2ccc(-c3ccc(OCC=CC)cc3)s2)cc1.
What is the InChIKey of 2,5-bis(4-but-2-enoxyphenyl)thiophene?
The InChIKey is PNEOQKBMRJKMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2S/c1-3-5-17-25-21-11-7-19(8-12-21)23-15-16-24(27-23)20-9-13-22(14-10-20)26-18-6-4-2/h3-16H,17-18H2,1-2H3.
What are the key properties of 2,5-bis(4-but-2-enoxyphenyl)thiophene?
2,5-bis(4-but-2-enoxyphenyl)thiophene has a molecular weight of 376.52 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-but-2-enoxyphenyl)thiophene is sourced from PubChem (CID 54197936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).