2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C₁₅H₂₀ClFO₂ — CID 115785318

About 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 115785318) has the molecular formula C₁₅H₂₀ClFO₂ and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

• Compound Name: 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
• PubChem CID: 115785318
• Molecular Formula: C₁₅H₂₀ClFO₂
• Molecular Weight: 286.77 g/mol
• Exact Mass: 286.11
• IUPAC Name: 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
• SMILES: CC1OC(C)C(C(O)Cc2ccc(F)cc2Cl)C1C
• InChI: InChI=1S/C15H20ClFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-5-12(17)7-13(11)16/h4-5,7-10,14-15,18H,6H2,1-3H3
• InChIKey: LFLYOYZWKXMDDJ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.77
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 115785318) is 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2ccc(F)cc2Cl)C1C.

What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

The InChIKey is LFLYOYZWKXMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c1-8-9(2)19-10(3)15(8)14(18)6-11-4-5-12(17)7-13(11)16/h4-5,7-10,14-15,18H,6H2,1-3H3.

What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol?

2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 286.77 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 115785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115785318 — identifiers, structure, computed properties (public domain)

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