(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol

C₁₅H₂₁FO₂ — CID 129368321

About (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol

(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol (PubChem CID 129368321) has the molecular formula C₁₅H₂₁FO₂ and a molecular weight of 252.33 g/mol. Its IUPAC name is (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol.

Molecular Properties

• Compound Name: (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
• PubChem CID: 129368321
• Molecular Formula: C₁₅H₂₁FO₂
• Molecular Weight: 252.33 g/mol
• Exact Mass: 252.15
• IUPAC Name: (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol
• SMILES: C=CCC[C@@H](O)CCCc1cc(F)ccc1OC
• InChI: InChI=1S/C15H21FO2/c1-3-4-7-14(17)8-5-6-12-11-13(16)9-10-15(12)18-2/h3,9-11,14,17H,1,4-8H2,2H3/t14-/m1/s1
• InChIKey: FFBBRGORNUZOIW-CQSZACIVSA-N
• XLogP: 3.48
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.33
LogP ≤ 5	3.48
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 (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol?

The IUPAC name of (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol (CID 129368321) is (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol.

What is the SMILES notation for (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol?

The canonical SMILES for (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol is C=CCC[C@@H](O)CCCc1cc(F)ccc1OC.

What is the InChIKey of (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol?

The InChIKey is FFBBRGORNUZOIW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-4-7-14(17)8-5-6-12-11-13(16)9-10-15(12)18-2/h3,9-11,14,17H,1,4-8H2,2H3/t14-/m1/s1.

What are the key properties of (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol?

(4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol has a molecular weight of 252.33 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-(5-fluoro-2-methoxyphenyl)oct-7-en-4-ol is sourced from PubChem (CID 129368321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129368321 — identifiers, structure, computed properties (public domain)

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