(1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol

C₁₄H₁₄OS — CID 155930578

About (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol

(1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol (PubChem CID 155930578) has the molecular formula C₁₄H₁₄OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol.

Molecular Properties

• Compound Name: (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol
• PubChem CID: 155930578
• Molecular Formula: C₁₄H₁₄OS
• Molecular Weight: 230.33 g/mol
• Exact Mass: 230.08
• IUPAC Name: (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol
• SMILES: C=C[C@H](c1ccccc1)[C@H](O)c1ccsc1
• InChI: InChI=1S/C14H14OS/c1-2-13(11-6-4-3-5-7-11)14(15)12-8-9-16-10-12/h2-10,13-15H,1H2/t13-,14-/m1/s1
• InChIKey: FASFZXVWUKUNME-ZIAGYGMSSA-N
• XLogP: 3.75
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.33
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol?

The IUPAC name of (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol (CID 155930578) is (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol.

What is the SMILES notation for (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol?

The canonical SMILES for (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol is C=C[C@H](c1ccccc1)[C@H](O)c1ccsc1.

What is the InChIKey of (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol?

The InChIKey is FASFZXVWUKUNME-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H14OS/c1-2-13(11-6-4-3-5-7-11)14(15)12-8-9-16-10-12/h2-10,13-15H,1H2/t13-,14-/m1/s1.

What are the key properties of (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol?

(1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol has a molecular weight of 230.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-2-phenyl-1-thiophen-3-ylbut-3-en-1-ol is sourced from PubChem (CID 155930578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155930578 — identifiers, structure, computed properties (public domain)

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