6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

C27H28FNO3 — CID 46955217

About 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol

6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (PubChem CID 46955217) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

Molecular Properties

• Compound Name: 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
• PubChem CID: 46955217
• Molecular Formula: C27H28FNO3
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.21
• IUPAC Name: 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
• SMILES: OC(CN1CCC2(CC1)CC(O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C27H28FNO3/c28-22-10-11-26-23(16-22)24(30)17-27(32-26)12-14-29(15-13-27)18-25(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,16,24-25,30-31H,12-15,17-18H2
• InChIKey: IBBIIRIHQGVBQY-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 52.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?

The IUPAC name of 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol (CID 46955217) is 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol.

What is the SMILES notation for 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?

The canonical SMILES for 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is OC(CN1CCC2(CC1)CC(O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?

The InChIKey is IBBIIRIHQGVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3/c28-22-10-11-26-23(16-22)24(30)17-27(32-26)12-14-29(15-13-27)18-25(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,16,24-25,30-31H,12-15,17-18H2.

What are the key properties of 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol?

6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol has a molecular weight of 433.52 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol is sourced from PubChem (CID 46955217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).