2-(1-phenylmethoxybut-3-enyl)thiophene

C15H16OS — CID 134964961

IUPAC2-(1-phenylmethoxybut-3-enyl)thiophene
SMILESC=CCC(OCc1ccccc1)c1cccs1
InChIInChI=1S/C15H16OS/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14H,1,7,12H2
InChIKeyCMJQKRWFLRNASK-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.58
Rot. Bonds6

About 2-(1-phenylmethoxybut-3-enyl)thiophene

2-(1-phenylmethoxybut-3-enyl)thiophene (PubChem CID 134964961) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(1-phenylmethoxybut-3-enyl)thiophene.

Molecular Properties

Compound Name2-(1-phenylmethoxybut-3-enyl)thiophene
PubChem CID134964961
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name2-(1-phenylmethoxybut-3-enyl)thiophene
SMILESC=CCC(OCc1ccccc1)c1cccs1
InChIInChI=1S/C15H16OS/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14H,1,7,12H2
InChIKeyCMJQKRWFLRNASK-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxybut-3-enyl)thiophene?
The IUPAC name of 2-(1-phenylmethoxybut-3-enyl)thiophene (CID 134964961) is 2-(1-phenylmethoxybut-3-enyl)thiophene.
What is the SMILES notation for 2-(1-phenylmethoxybut-3-enyl)thiophene?
The canonical SMILES for 2-(1-phenylmethoxybut-3-enyl)thiophene is C=CCC(OCc1ccccc1)c1cccs1.
What is the InChIKey of 2-(1-phenylmethoxybut-3-enyl)thiophene?
The InChIKey is CMJQKRWFLRNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-2-7-14(15-10-6-11-17-15)16-12-13-8-4-3-5-9-13/h2-6,8-11,14H,1,7,12H2.
What are the key properties of 2-(1-phenylmethoxybut-3-enyl)thiophene?
2-(1-phenylmethoxybut-3-enyl)thiophene has a molecular weight of 244.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxybut-3-enyl)thiophene is sourced from PubChem (CID 134964961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).